Model name? Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 Stoichiometric species (literal list of strings)? ['O', 'Si'] Prototype label? A2B_cP24_198_ab_2a Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Query result (literal list of dicts)? [{'instance-id': 2, 'a.si-value': 7.0097e-10, 'parameter-names.source-value': ['x1', 'x2', 'x3', 'x4', 'y4', 'z4'], 'parameter-values.source-value': [0.15525522, 0.2877697, 0.022924977, 0.63666583, 0.66485958, 0.036474352], 'meta.uuid': 'TE_681860204966_002-and-SM_422553794879_000-1711749163-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'Si', 'Si'] representative atom coordinates = [[0.15525522 0.15525522 0.15525522] [0.63666583 0.66485958 0.03647435] [0.2877697 0.2877697 0.2877697 ] [0.02292498 0.02292498 0.02292498]] spacegroup = 198 cell = [[7.0097, 0, 0], [0, 7.0097, 0], [0, 0, 7.0097]] ========================================= E L A S T I C C O N S T A N T C A L C U L A T I O N S Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 0 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.00179434 -0.00088683 -0.00028617] [ 0.00179434 0.00088683 -0.00028617] [ 0.00179434 -0.00088683 0.00028617] [-0.00179434 0.00088683 0.00028617] [-0.00131186 0.00290725 -0.00043453] [ 0.00131186 -0.00290725 -0.00043453] [ 0.00131186 0.00290725 0.00043453] [-0.00131186 -0.00290725 0.00043453] [-0.00070401 -0.00440502 -0.00079256] [-0.00070401 0.00440502 0.00079256] [ 0.00070401 0.00440502 -0.00079256] [ 0.00070401 -0.00440502 0.00079256] [ 0.00109766 0.00079093 -0.00057206] [-0.00109766 0.00079093 0.00057206] [ 0.00109766 -0.00079093 0.00057206] [-0.00109766 -0.00079093 -0.00057206] [ 0.00226782 0.00102983 -0.00184684] [-0.00226782 -0.00102983 -0.00184684] [-0.00226782 0.00102983 0.00184684] [ 0.00226782 -0.00102983 0.00184684] [ 0.00208101 -0.00091863 0.00011573] [-0.00208101 0.00091863 0.00011573] [-0.00208101 -0.00091863 -0.00011573] [ 0.00208101 0.00091863 -0.00011573]] Final stress: [-2.13234251e-05 9.68057989e-06 9.30914388e-06 3.96147060e-15 8.56303872e-15 -3.97956577e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.00483438 0.00234711 0.00093339] [-0.00483438 -0.00234711 0.00093339] [-0.00483438 0.00234711 -0.00093339] [ 0.00483438 -0.00234711 -0.00093339] [ 0.00308441 -0.00653217 0.00141467] [-0.00308441 0.00653217 0.00141467] [-0.00308441 -0.00653217 -0.00141467] [ 0.00308441 0.00653217 -0.00141467] [ 0.00144431 0.00966956 0.00087886] [ 0.00144431 -0.00966956 -0.00087886] [-0.00144431 -0.00966956 0.00087886] [-0.00144431 0.00966956 -0.00087886] [-0.0024289 -0.00065705 0.00128323] [ 0.0024289 -0.00065705 -0.00128323] [-0.0024289 0.00065705 -0.00128323] [ 0.0024289 0.00065705 0.00128323] [-0.00474869 -0.00184853 0.00436962] [ 0.00474869 0.00184853 0.00436962] [ 0.00474869 -0.00184853 -0.00436962] [-0.00474869 0.00184853 -0.00436962] [-0.00429383 0.00189712 -0.00032287] [ 0.00429383 -0.00189712 -0.00032287] [ 0.00429383 0.00189712 0.00032287] [-0.00429383 -0.00189712 0.00032287]] Final stress: [ 1.23055431e-04 1.58942517e-05 1.53205181e-05 1.00511483e-14 6.47859181e-15 -9.05851171e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 0.06304792 0.06648201 0.05725345] [-0.06304792 -0.06648201 0.05725345] [-0.06304792 0.06648201 -0.05725345] [ 0.06304792 -0.06648201 -0.05725345] [-0.00981034 0.04202187 0.0040858 ] [ 0.00981034 -0.04202187 0.0040858 ] [ 0.00981034 0.04202187 -0.0040858 ] [-0.00981034 -0.04202186 -0.0040858 ] [ 0.01306514 -0.01554297 0.05104906] [ 0.01306514 0.01554297 -0.05104906] [-0.01306514 0.01554297 0.05104906] [-0.01306514 -0.01554297 -0.05104906] [ 0.00572869 0.01345654 -0.01871186] [-0.00572869 0.01345654 0.01871186] [ 0.00572869 -0.01345654 0.01871186] [-0.00572869 -0.01345654 -0.01871186] [-0.03857596 0.00524015 -0.04261606] [ 0.03857596 -0.00524015 -0.04261606] [ 0.03857596 0.00524015 0.04261606] [-0.03857596 -0.00524015 0.04261606] [-0.01780572 -0.08785136 -0.05974308] [ 0.01780572 0.08785136 -0.05974308] [ 0.01780572 -0.08785136 0.05974308] [-0.01780572 0.08785136 0.05974308]] Final stress: [-1.07346173e-04 -2.35549756e-04 8.25688441e-04 -2.00519425e-13 4.73958827e-13 1.99635121e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 4.39720217e-04 -7.46704917e-04 3.47021566e-04] [-4.39720214e-04 7.46704919e-04 3.47021563e-04] [-4.39720218e-04 -7.46704916e-04 -3.47021566e-04] [ 4.39720214e-04 7.46704918e-04 -3.47021564e-04] [-5.71130259e-04 1.74356741e-05 2.42793728e-04] [ 5.71130249e-04 -1.74356893e-05 2.42793735e-04] [ 5.71130255e-04 1.74356820e-05 -2.42793731e-04] [-5.71130257e-04 -1.74356762e-05 -2.42793728e-04] [-1.22845773e-04 3.04522832e-04 5.27065903e-04] [-1.22845781e-04 -3.04522827e-04 -5.27065896e-04] [ 1.22845775e-04 -3.04522832e-04 5.27065902e-04] [ 1.22845766e-04 3.04522836e-04 -5.27065908e-04] [-4.30997288e-04 -5.40895471e-05 3.43104790e-04] [ 4.30997289e-04 -5.40895521e-05 -3.43104789e-04] [-4.30997278e-04 5.40895428e-05 -3.43104795e-04] [ 4.30997280e-04 5.40895493e-05 3.43104794e-04] [ 1.18875557e-04 -2.92746749e-04 2.73568702e-04] [-1.18875565e-04 2.92746752e-04 2.73568697e-04] [-1.18875552e-04 -2.92746753e-04 -2.73568701e-04] [ 1.18875573e-04 2.92746753e-04 -2.73568700e-04] [ 2.43846666e-04 4.34374152e-04 -6.66855190e-04] [-2.43846656e-04 -4.34374165e-04 -6.66855193e-04] [-2.43846659e-04 4.34374166e-04 6.66855193e-04] [ 2.43846659e-04 -4.34374153e-04 6.66855189e-04]] Final stress: [ 1.07358534e-05 -1.24662373e-05 -2.22759728e-07 2.35468126e-15 1.81725530e-14 -4.69783137e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.22894291e-04 5.30690246e-04 -2.63722242e-04] [ 2.22894284e-04 -5.30690252e-04 -2.63722234e-04] [ 2.22894282e-04 5.30690256e-04 2.63722233e-04] [-2.22894281e-04 -5.30690255e-04 2.63722233e-04] [ 4.76852702e-04 2.92488064e-04 -5.81319298e-05] [-4.76852701e-04 -2.92488063e-04 -5.81319232e-05] [-4.76852694e-04 2.92488051e-04 5.81319349e-05] [ 4.76852686e-04 -2.92488039e-04 5.81319397e-05] [ 4.66013072e-04 -1.34254033e-05 -3.10215421e-04] [ 4.66013085e-04 1.34254014e-05 3.10215416e-04] [-4.66013075e-04 1.34254054e-05 -3.10215424e-04] [-4.66013074e-04 -1.34254089e-05 3.10215428e-04] [ 1.38455294e-04 -3.14127615e-04 -3.75892392e-04] [-1.38455288e-04 -3.14127611e-04 3.75892395e-04] [ 1.38455275e-04 3.14127621e-04 3.75892402e-04] [-1.38455274e-04 3.14127625e-04 -3.75892405e-04] [-3.35976750e-04 4.60048296e-04 -1.36036198e-05] [ 3.35976766e-04 -4.60048307e-04 -1.36036257e-05] [ 3.35976744e-04 4.60048284e-04 1.36036256e-05] [-3.35976763e-04 -4.60048288e-04 1.36036085e-05] [-5.30843067e-04 -1.02288873e-04 6.44355645e-04] [ 5.30843060e-04 1.02288871e-04 6.44355640e-04] [ 5.30843083e-04 -1.02288865e-04 -6.44355647e-04] [-5.30843076e-04 1.02288860e-04 -6.44355638e-04]] Final stress: [-8.42220483e-06 7.11509534e-06 7.24003830e-08 -1.48192212e-14 -2.28708301e-14 -2.46432967e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.47444502e-04 9.06375409e-05 1.80259793e-04] [-1.47444500e-04 -9.06375399e-05 1.80259792e-04] [-1.47444506e-04 9.06375448e-05 -1.80259797e-04] [ 1.47444502e-04 -9.06375409e-05 -1.80259793e-04] [ 1.42136588e-04 -7.51215971e-04 -1.15086677e-04] [-1.42136586e-04 7.51215975e-04 -1.15086679e-04] [-1.42136583e-04 -7.51215979e-04 1.15086683e-04] [ 1.42136583e-04 7.51215978e-04 1.15086682e-04] [ 2.20026129e-04 4.12193789e-04 -1.42230448e-04] [ 2.20026130e-04 -4.12193788e-04 1.42230450e-04] [-2.20026127e-04 -4.12193785e-04 -1.42230453e-04] [-2.20026133e-04 4.12193790e-04 1.42230446e-04] [ 2.52014434e-04 -2.82366658e-04 6.46454398e-04] [-2.52014439e-04 -2.82366652e-04 -6.46454401e-04] [ 2.52014437e-04 2.82366655e-04 -6.46454400e-04] [-2.52014442e-04 2.82366652e-04 6.46454402e-04] [ 3.27800185e-05 -6.76234494e-04 4.58087157e-04] [-3.27800210e-05 6.76234490e-04 4.58087155e-04] [-3.27800198e-05 -6.76234496e-04 -4.58087158e-04] [ 3.27800246e-05 6.76234497e-04 -4.58087156e-04] [-3.44038087e-04 -5.43932038e-05 4.63186191e-04] [ 3.44038093e-04 5.43932044e-05 4.63186190e-04] [ 3.44038097e-04 -5.43932042e-05 -4.63186189e-04] [-3.44038095e-04 5.43931948e-05 -4.63186188e-04]] Final stress: [-2.97900678e-05 -2.99139129e-05 -2.66384987e-05 1.32430968e-15 6.54173483e-15 -9.98047020e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 0.07248842 0.06289066 0.06834852] [-0.07248842 -0.06289066 0.06834852] [-0.07248842 0.06289066 -0.06834852] [ 0.07248842 -0.06289066 -0.06834852] [-0.01648636 0.05459257 0.01507254] [ 0.01648636 -0.05459257 0.01507254] [ 0.01648636 0.05459257 -0.01507254] [-0.01648636 -0.05459257 -0.01507254] [ 0.01510908 -0.01944859 0.00573749] [ 0.01510908 0.01944859 -0.00573749] [-0.01510908 0.01944859 0.00573749] [-0.01510908 -0.01944859 -0.00573749] [ 0.04485872 0.00442523 -0.01038203] [-0.04485872 0.00442523 0.01038203] [ 0.04485872 -0.00442523 0.01038203] [-0.04485872 -0.00442523 -0.01038203] [ 0.00455967 -0.04685699 -0.04161526] [-0.00455967 0.04685699 -0.04161526] [-0.00455967 -0.04685699 0.04161526] [ 0.00455967 0.04685699 0.04161526] [-0.09423166 -0.06428068 -0.01951759] [ 0.09423166 0.06428068 -0.01951759] [ 0.09423166 -0.06428068 0.01951759] [-0.09423166 0.06428068 0.01951759]] Final stress: [-2.19247867e-04 9.45926212e-04 -7.87844382e-05 2.59937858e-13 4.59012232e-15 -1.75080511e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 2.06777478e-03 -1.22540144e-03 -7.47341941e-04] [-2.06777478e-03 1.22540144e-03 -7.47341942e-04] [-2.06777477e-03 -1.22540145e-03 7.47341950e-04] [ 2.06777478e-03 1.22540144e-03 7.47341941e-04] [-6.31192695e-04 -1.67218443e-03 -5.69562683e-04] [ 6.31192693e-04 1.67218443e-03 -5.69562677e-04] [ 6.31192680e-04 -1.67218441e-03 5.69562667e-04] [-6.31192682e-04 1.67218441e-03 5.69562663e-04] [ 7.40947501e-04 -1.44522758e-03 1.58165013e-03] [ 7.40947507e-04 1.44522757e-03 -1.58165015e-03] [-7.40947514e-04 1.44522757e-03 1.58165014e-03] [-7.40947523e-04 -1.44522756e-03 -1.58165016e-03] [ 2.85948443e-04 -6.89334331e-05 2.25283682e-03] [-2.85948437e-04 -6.89334499e-05 -2.25283681e-03] [ 2.85948418e-04 6.89334616e-05 -2.25283680e-03] [-2.85948434e-04 6.89334512e-05 2.25283681e-03] [ 1.84180338e-03 -3.31711681e-06 -1.58092176e-03] [-1.84180336e-03 3.31710850e-06 -1.58092174e-03] [-1.84180336e-03 -3.31709108e-06 1.58092176e-03] [ 1.84180337e-03 3.31707523e-06 1.58092177e-03] [-1.26353699e-03 3.17181301e-03 -1.94007672e-03] [ 1.26353700e-03 -3.17181302e-03 -1.94007673e-03] [ 1.26353700e-03 3.17181301e-03 1.94007673e-03] [-1.26353699e-03 -3.17181300e-03 1.94007674e-03]] Final stress: [-1.18742503e-05 -9.82802587e-07 7.57433777e-06 1.12413869e-14 -4.68714384e-15 1.93749769e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-7.44323979e-04 3.47871249e-04 4.36448583e-04] [ 7.44323981e-04 -3.47871246e-04 4.36448580e-04] [ 7.44323981e-04 3.47871246e-04 -4.36448581e-04] [-7.44323981e-04 -3.47871247e-04 -4.36448582e-04] [ 2.99707586e-04 5.22755990e-04 -1.21908607e-04] [-2.99707582e-04 -5.22755983e-04 -1.21908616e-04] [-2.99707585e-04 5.22755989e-04 1.21908612e-04] [ 2.99707590e-04 -5.22755996e-04 1.21908603e-04] [-5.18280959e-05 3.49417216e-04 -4.25346058e-04] [-5.18280954e-05 -3.49417219e-04 4.25346053e-04] [ 5.18280920e-05 -3.49417220e-04 -4.25346048e-04] [ 5.18280908e-05 3.49417223e-04 4.25346044e-04] [ 1.57062461e-05 2.39489439e-04 -5.72664200e-04] [-1.57062560e-05 2.39489442e-04 5.72664194e-04] [ 1.57062500e-05 -2.39489438e-04 5.72664198e-04] [-1.57062559e-05 -2.39489445e-04 -5.72664194e-04] [-2.96994890e-04 2.72930537e-04 1.23980150e-04] [ 2.96994892e-04 -2.72930536e-04 1.23980165e-04] [ 2.96994894e-04 2.72930543e-04 -1.23980159e-04] [-2.96994887e-04 -2.72930543e-04 -1.23980145e-04] [ 4.33921274e-04 -6.76580757e-04 2.53603514e-04] [-4.33921271e-04 6.76580759e-04 2.53603511e-04] [-4.33921277e-04 -6.76580762e-04 -2.53603505e-04] [ 4.33921278e-04 6.76580759e-04 -2.53603511e-04]] Final stress: [-1.24109064e-05 -2.22678448e-07 1.06847117e-05 1.10746575e-14 6.58613948e-16 4.87385704e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 9.02554843e-05 1.79748592e-04 1.46851303e-04] [-9.02554805e-05 -1.79748589e-04 1.46851300e-04] [-9.02554827e-05 1.79748590e-04 -1.46851302e-04] [ 9.02554815e-05 -1.79748590e-04 -1.46851301e-04] [ 4.11404328e-04 -1.42404238e-04 2.19440468e-04] [-4.11404328e-04 1.42404238e-04 2.19440463e-04] [-4.11404328e-04 -1.42404238e-04 -2.19440469e-04] [ 4.11404325e-04 1.42404242e-04 -2.19440461e-04] [-2.81829308e-04 6.44888639e-04 2.51289971e-04] [-2.81829308e-04 -6.44888641e-04 -2.51289976e-04] [ 2.81829303e-04 -6.44888645e-04 2.51289980e-04] [ 2.81829308e-04 6.44888638e-04 -2.51289969e-04] [-7.49694413e-04 -1.14466163e-04 1.41834478e-04] [ 7.49694411e-04 -1.14466162e-04 -1.41834479e-04] [-7.49694401e-04 1.14466152e-04 -1.41834486e-04] [ 7.49694403e-04 1.14466155e-04 1.41834485e-04] [-6.74806693e-04 4.56919392e-04 3.27287089e-05] [ 6.74806691e-04 -4.56919387e-04 3.27287050e-05] [ 6.74806695e-04 4.56919390e-04 -3.27287096e-05] [-6.74806690e-04 -4.56919383e-04 -3.27287072e-05] [-5.36626915e-05 4.62519298e-04 -3.42843326e-04] [ 5.36626977e-05 -4.62519298e-04 -3.42843312e-04] [ 5.36626906e-05 4.62519302e-04 3.42843325e-04] [-5.36626945e-05 -4.62519295e-04 3.42843311e-04]] Final stress: [-2.99275503e-05 -2.66034155e-05 -2.98039883e-05 -6.09139735e-16 1.08485963e-14 -1.09388993e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 3.15431584e-03 5.32266851e-04 1.87060318e-04] [-2.91760708e-03 8.03881350e-03 -2.61814945e-03] [-2.91760708e-03 -8.03881350e-03 2.61814945e-03] [ 3.15431583e-03 -5.32266848e-04 -1.87060315e-04] [-2.71785299e-03 -1.06806954e-04 2.05159732e-03] [-2.71823976e-04 -2.22456548e-03 8.91544068e-05] [-2.71823987e-04 2.22456549e-03 -8.91544090e-05] [-2.71785298e-03 1.06806944e-04 -2.05159733e-03] [-1.11593078e-03 2.41197237e-03 1.29130694e-03] [-1.11593078e-03 -2.41197237e-03 -1.29130694e-03] [-2.97252220e-03 4.47914142e-03 -2.76677174e-03] [-2.97252220e-03 -4.47914142e-03 2.76677174e-03] [ 1.89304019e-04 1.32603250e-03 3.03572450e-03] [ 4.94168414e-03 3.65337756e-04 -6.88521874e-03] [ 1.89304013e-04 -1.32603250e-03 -3.03572449e-03] [ 4.94168414e-03 -3.65337756e-04 6.88521873e-03] [-4.56235059e-03 1.32568158e-03 -4.16723030e-03] [ 4.08619207e-04 6.14511544e-03 -6.57072297e-04] [ 4.08619205e-04 -6.14511543e-03 6.57072302e-04] [-4.56235060e-03 -1.32568159e-03 4.16723030e-03] [ 4.23529891e-03 1.88681608e-03 -1.58418950e-03] [ 1.62886552e-03 -8.17297796e-04 2.14803083e-03] [ 1.62886551e-03 8.17297790e-04 -2.14803084e-03] [ 4.23529892e-03 -1.88681607e-03 1.58418950e-03]] Final stress: [ 2.08638168e-05 1.93435762e-04 1.84154298e-04 -1.74744776e-04 -8.22456460e-15 1.69975284e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 2.91673085e-03 -8.03699045e-03 -2.61766745e-03] [-3.15464639e-03 -5.32205050e-04 1.87066407e-04] [-3.15464640e-03 5.32205053e-04 -1.87066410e-04] [ 2.91673085e-03 8.03699045e-03 2.61766745e-03] [ 2.71708587e-04 2.22388213e-03 8.79094728e-05] [ 2.71654327e-03 1.05766462e-04 2.05093125e-03] [ 2.71654327e-03 -1.05766467e-04 -2.05093124e-03] [ 2.71708585e-04 -2.22388212e-03 -8.79094678e-05] [ 2.97035632e-03 -4.47770550e-03 -2.76689733e-03] [ 2.97035632e-03 4.47770550e-03 2.76689733e-03] [ 1.11506187e-03 -2.41207818e-03 1.29190407e-03] [ 1.11506188e-03 2.41207818e-03 -1.29190408e-03] [-4.93979359e-03 3.65845136e-04 6.88434545e-03] [-1.89904543e-04 1.32377140e-03 -3.03554723e-03] [-4.93979358e-03 -3.65845139e-04 -6.88434546e-03] [-1.89904550e-04 -1.32377140e-03 3.03554723e-03] [-4.08047631e-04 -6.14319590e-03 -6.56360062e-04] [ 4.56292273e-03 -1.32491966e-03 -4.16493354e-03] [ 4.56292273e-03 1.32491966e-03 4.16493353e-03] [-4.08047630e-04 6.14319590e-03 6.56360063e-04] [-1.62832869e-03 8.17247959e-04 2.14697334e-03] [-4.23260277e-03 -1.88605429e-03 -1.58558836e-03] [-4.23260278e-03 1.88605429e-03 1.58558837e-03] [-1.62832870e-03 -8.17247965e-04 -2.14697334e-03]] Final stress: [ 2.08404014e-05 1.93360371e-04 1.84083433e-04 1.74691890e-04 1.24065138e-14 -1.10436444e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00318106 0.00674389 0.00173558] [ 0.0028798 0.0010343 -0.00041562] [ 0.0028798 -0.0010343 0.00041562] [-0.00318106 -0.00674389 -0.00173558] [ 0.00089322 -0.00360406 0.00100715] [-0.00160207 0.0003296 0.00010101] [-0.00160207 -0.0003296 -0.00010101] [ 0.00089322 0.00360406 -0.00100715] [-0.00224583 0.00327765 0.00070816] [-0.00224583 -0.00327765 -0.00070816] [-0.00176811 0.00253758 -0.00275873] [-0.00176811 -0.00253758 0.00275873] [ 0.00295622 0.00050387 -0.00507344] [-0.00028035 0.00176064 0.00160188] [ 0.00295622 -0.00050387 0.00507344] [-0.00028035 -0.00176064 -0.00160188] [ 0.00019592 0.00347959 0.00178144] [-0.00026985 0.00149592 0.00363776] [-0.00026985 -0.00149592 -0.00363776] [ 0.00019592 -0.00347959 -0.00178144] [ 0.00144112 0.00062251 -0.00226655] [ 0.000981 -0.00209998 0.00241103] [ 0.000981 0.00209998 -0.00241103] [ 0.00144112 -0.00062251 0.00226655]] Final stress: [ 7.12487236e-05 -6.90777590e-05 -7.60208471e-05 -1.97253873e-04 -9.97443323e-15 -3.26575367e-14] Minimization converged after 107 steps. Minimization converged after 104 steps. Minimization converged after 106 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[ 0.00127402 0.03358098 0.05883839] [ 0.01808562 -0.01906604 -0.01826683] [-0.00127402 0.03358098 -0.05883839] [-0.01808562 -0.01906604 0.01826683] [ 0.00549792 -0.00664151 0.03969675] [-0.01790961 0.06325816 -0.00231556] [-0.00549792 -0.00664151 -0.03969675] [ 0.01790961 0.06325816 0.00231556] [ 0.05946642 0.02195326 0.06056657] [-0.01386139 -0.01022505 0.04020771] [ 0.01386139 -0.01022505 -0.04020771] [-0.05946642 0.02195326 -0.06056657] [ 0.00313152 -0.00958423 -0.04092618] [-0.00313152 -0.00958423 0.04092618] [-0.03532337 -0.04038806 0.08945114] [ 0.03532337 -0.04038806 -0.08945114] [ 0.00106174 -0.00431143 0.10274554] [-0.04843227 -0.05213478 -0.07652678] [-0.00106174 -0.00431143 -0.10274554] [ 0.04843227 -0.05213478 0.07652678] [-0.04306066 -0.01394332 0.06870504] [-0.02415835 0.03750201 -0.00281119] [ 0.04306066 -0.01394332 -0.06870504] [ 0.02415835 0.03750201 0.00281119]] Final stress: [ 1.83466780e-03 4.38251567e-04 3.51359625e-04 8.02500895e-15 -1.00057810e-03 -1.24528861e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 29 steps. Final forces: [[-0.01821504 0.02038128 -0.01869427] [-0.00029031 -0.03475272 0.05893398] [ 0.01821504 0.02038128 0.01869427] [ 0.00029031 -0.03475272 -0.05893398] [ 0.01811149 -0.0632605 -0.0025519 ] [-0.00511195 0.00559996 0.03989468] [-0.01811149 -0.0632605 0.0025519 ] [ 0.00511195 0.00559996 -0.03989468] [-0.01403149 0.01053158 -0.03995961] [ 0.05955435 -0.02267217 -0.06018883] [-0.05955435 -0.02267217 0.06018883] [ 0.01403149 0.01053158 0.03995961] [-0.03491793 0.04107906 -0.09106962] [ 0.03491793 0.04107906 0.09106962] [ 0.00356499 0.00938149 0.04114929] [-0.00356499 0.00938149 -0.04114929] [ 0.04903024 0.05276084 -0.07664846] [-0.00124092 0.00457943 0.10357471] [-0.04903024 0.05276084 0.07664846] [ 0.00124092 0.00457943 -0.10357471] [ 0.02488421 -0.03808267 -0.00282534] [ 0.04326246 0.01445442 0.06934827] [-0.02488421 -0.03808267 0.00282534] [-0.04326246 0.01445442 -0.06934827]] Final stress: [1.85342122e-03 4.37825041e-04 3.55497875e-04 3.86620699e-13 1.02111668e-03 4.79241981e-13] Minimization converged after 98 steps. Minimization converged after 95 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-1.67695316e-04 6.26942798e-03 -1.00465242e-04] [ 1.67695315e-04 -6.26942798e-03 -1.00465245e-04] [ 1.15422896e-02 6.11027124e-03 -3.28281850e-03] [-1.15422896e-02 -6.11027125e-03 -3.28281851e-03] [ 7.81638377e-03 3.64625440e-04 -3.22356995e-03] [-7.81638377e-03 -3.64625451e-04 -3.22356995e-03] [ 5.68099108e-03 -7.85472157e-03 -4.17276626e-03] [-5.68099108e-03 7.85472158e-03 -4.17276626e-03] [ 1.66323291e-03 -5.47633542e-04 6.36239408e-03] [-6.54448948e-04 -4.60868857e-03 5.67254033e-03] [-1.66323291e-03 5.47633542e-04 6.36239407e-03] [ 6.54448940e-04 4.60868858e-03 5.67254032e-03] [ 1.73597679e-03 5.97263963e-03 -9.80553341e-03] [-3.15143402e-03 -1.21988699e-03 7.35779963e-03] [ 3.15143402e-03 1.21988698e-03 7.35779963e-03] [-1.73597678e-03 -5.97263961e-03 -9.80553341e-03] [ 9.18349321e-03 -4.36079671e-04 4.99892914e-05] [-9.18349322e-03 4.36079680e-04 4.99892942e-05] [ 4.76921024e-03 7.15705148e-03 -5.16852878e-03] [-4.76921024e-03 -7.15705148e-03 -5.16852877e-03] [ 3.93976534e-03 -8.85157441e-04 5.84869429e-03] [-3.93976534e-03 8.85157425e-04 5.84869429e-03] [ 4.34075142e-03 1.63325082e-03 4.62264520e-04] [-4.34075142e-03 -1.63325081e-03 4.62264527e-04]] Final stress: [ 1.89389063e-04 -1.54380542e-04 -1.45778664e-04 1.61352458e-14 -1.41420774e-14 -3.31185058e-04] Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.00028036 -0.00176724 -0.00087352] [ 0.00028036 0.00176724 -0.00087352] [ 0.00028036 -0.00176724 0.00087352] [-0.00028036 0.00176724 0.00087352] [-0.0005657 0.00108087 0.00077914] [ 0.0005657 -0.00108087 0.00077914] [ 0.0005657 0.00108087 -0.00077914] [-0.0005657 -0.00108087 -0.00077914] [-0.00042927 -0.001297 0.00287029] [-0.00042927 0.001297 -0.00287029] [ 0.00042927 0.001297 0.00287029] [ 0.00042927 -0.001297 -0.00287029] [-0.00077979 -0.00069091 -0.00434708] [ 0.00077979 -0.00069091 0.00434708] [-0.00077979 0.00069091 0.00434708] [ 0.00077979 0.00069091 -0.00434708] [-0.00182435 0.00223735 0.00101695] [ 0.00182435 -0.00223735 0.00101695] [ 0.00182435 0.00223735 -0.00101695] [-0.00182435 -0.00223735 -0.00101695] [ 0.00011642 0.00205142 -0.00091013] [-0.00011642 -0.00205142 -0.00091013] [-0.00011642 0.00205142 0.00091013] [ 0.00011642 -0.00205142 0.00091013]] Final stress: [ 9.37462310e-06 -2.02162427e-05 9.74302837e-06 1.50997379e-15 -3.14237639e-15 6.13039116e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.00093558 0.00482182 0.0023454 ] [-0.00093558 -0.00482182 0.0023454 ] [-0.00093558 0.00482182 -0.0023454 ] [ 0.00093558 -0.00482182 -0.0023454 ] [ 0.00126621 -0.00242899 -0.00064564] [-0.00126621 0.00242899 -0.00064564] [-0.00126621 -0.00242899 0.00064564] [ 0.00126621 0.00242899 0.00064564] [ 0.00141728 0.00306319 -0.00651399] [ 0.00141728 -0.00306319 0.00651399] [-0.00141728 -0.00306319 -0.00651399] [-0.00141728 0.00306319 0.00651399] [ 0.00086531 0.00144954 0.00962267] [-0.00086531 0.00144954 -0.00962267] [ 0.00086531 -0.00144954 -0.00962267] [-0.00086531 -0.00144954 0.00962267] [ 0.00435529 -0.00472332 -0.00183463] [-0.00435529 0.00472332 -0.00183463] [-0.00435529 -0.00472332 0.00183463] [ 0.00435529 0.00472332 0.00183463] [-0.00031166 -0.00426897 0.00189212] [ 0.00031166 0.00426897 0.00189212] [ 0.00031166 -0.00426897 -0.00189212] [-0.00031166 0.00426897 -0.00189212]] Final stress: [ 1.53986743e-05 1.22492127e-04 1.59748843e-05 1.01335222e-14 -7.45549992e-15 8.99981929e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 0.06050971 0.06613225 0.06996519] [-0.06050971 -0.06613225 0.06996519] [-0.06050971 0.06613225 -0.06996519] [ 0.06050971 -0.06613225 -0.06996519] [-0.0191393 0.00574069 0.01440775] [ 0.0191393 -0.00574069 0.01440775] [ 0.0191393 0.00574069 -0.01440775] [-0.0191393 -0.00574069 -0.01440775] [ 0.00427779 -0.01014353 0.04367137] [ 0.00427779 0.01014353 -0.04367137] [-0.00427779 0.01014353 0.04367137] [-0.00427779 -0.01014353 -0.04367137] [ 0.05311598 0.01421674 -0.01608929] [-0.05311598 0.01421674 0.01608929] [ 0.05311598 -0.01421674 0.01608929] [-0.05311598 -0.01421674 -0.01608929] [-0.0450649 -0.04034337 0.00485024] [ 0.0450649 0.04034337 0.00485024] [ 0.0450649 -0.04034337 -0.00485024] [-0.0450649 0.04034337 -0.00485024] [-0.06238005 -0.01880545 -0.0915712 ] [ 0.06238005 0.01880545 -0.0915712 ] [ 0.06238005 -0.01880545 0.0915712 ] [-0.06238005 0.01880545 0.0915712 ]] Final stress: [ 8.94828849e-04 -9.12888281e-05 -2.26493421e-04 4.28193321e-13 -4.51020899e-13 2.82137303e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.47688899e-04 4.36341088e-04 -7.44004121e-04] [-3.47688902e-04 -4.36341091e-04 -7.44004118e-04] [-3.47688899e-04 4.36341087e-04 7.44004121e-04] [ 3.47688900e-04 -4.36341088e-04 7.44004120e-04] [ 3.49173574e-04 -4.25127469e-04 -5.18000797e-05] [-3.49173574e-04 4.25127468e-04 -5.18000789e-05] [-3.49173580e-04 -4.25127458e-04 5.18000740e-05] [ 3.49173577e-04 4.25127463e-04 5.18000788e-05] [ 2.39383748e-04 -5.72288908e-04 1.58381092e-05] [ 2.39383755e-04 5.72288901e-04 -1.58381205e-05] [-2.39383748e-04 5.72288907e-04 1.58381103e-05] [-2.39383749e-04 -5.72288907e-04 -1.58381102e-05] [ 5.22398047e-04 -1.21758518e-04 2.99577243e-04] [-5.22398035e-04 -1.21758530e-04 -2.99577235e-04] [ 5.22398037e-04 1.21758527e-04 -2.99577237e-04] [-5.22398042e-04 1.21758520e-04 2.99577240e-04] [ 2.72767938e-04 1.24034234e-04 -2.96848026e-04] [-2.72767936e-04 -1.24034233e-04 -2.96848031e-04] [-2.72767938e-04 1.24034247e-04 2.96848034e-04] [ 2.72767931e-04 -1.24034246e-04 2.96848027e-04] [-6.76098407e-04 2.53402820e-04 4.33645964e-04] [ 6.76098406e-04 -2.53402818e-04 4.33645970e-04] [ 6.76098409e-04 2.53402815e-04 -4.33645967e-04] [-6.76098411e-04 -2.53402812e-04 -4.33645968e-04]] Final stress: [-2.22010171e-07 1.06895419e-05 -1.24147494e-05 -5.68105131e-15 -3.56596814e-15 1.39943751e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.19428153e-03 -7.27226916e-04 2.01456685e-03] [ 1.19428154e-03 7.27226919e-04 2.01456685e-03] [ 1.19428153e-03 -7.27226909e-04 -2.01456686e-03] [-1.19428153e-03 7.27226917e-04 -2.01456685e-03] [-1.41037948e-03 1.53994468e-03 7.24022980e-04] [ 1.41037947e-03 -1.53994471e-03 7.24022999e-04] [ 1.41037948e-03 1.53994469e-03 -7.24022990e-04] [-1.41037949e-03 -1.53994467e-03 -7.24022969e-04] [-6.29882385e-05 2.19556431e-03 2.76412737e-04] [-6.29882483e-05 -2.19556430e-03 -2.76412723e-04] [ 6.29882557e-05 -2.19556429e-03 2.76412712e-04] [ 6.29882320e-05 2.19556430e-03 -2.76412727e-04] [-1.62505200e-03 -5.60269942e-04 -6.12800962e-04] [ 1.62505200e-03 -5.60269938e-04 6.12800961e-04] [-1.62505198e-03 5.60269928e-04 6.12800948e-04] [ 1.62505198e-03 5.60269931e-04 -6.12800948e-04] [ 2.75223537e-06 -1.54828675e-03 1.79902437e-03] [-2.75225890e-06 1.54828674e-03 1.79902434e-03] [-2.75223719e-06 -1.54828675e-03 -1.79902435e-03] [ 2.75227200e-06 1.54828677e-03 -1.79902436e-03] [ 3.09149368e-03 -1.89554096e-03 -1.22791342e-03] [-3.09149366e-03 1.89554095e-03 -1.22791341e-03] [-3.09149366e-03 -1.89554094e-03 1.22791341e-03] [ 3.09149365e-03 1.89554095e-03 1.22791342e-03]] Final stress: [-9.65987438e-07 6.80858252e-06 -1.10222170e-05 -3.31430251e-14 4.67497418e-14 -2.82931685e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.77339266e-04 1.43655372e-04 8.77812808e-05] [-1.77339265e-04 -1.43655371e-04 8.77812791e-05] [-1.77339264e-04 1.43655370e-04 -8.77812791e-05] [ 1.77339266e-04 -1.43655373e-04 -8.77812815e-05] [ 6.37095494e-04 2.48200411e-04 -2.79679892e-04] [-6.37095493e-04 -2.48200411e-04 -2.79679892e-04] [-6.37095497e-04 2.48200418e-04 2.79679888e-04] [ 6.37095494e-04 -2.48200410e-04 2.79679891e-04] [-1.11055174e-04 1.40343369e-04 -7.42666296e-04] [-1.11055179e-04 -1.40343367e-04 7.42666300e-04] [ 1.11055169e-04 -1.40343375e-04 -7.42666288e-04] [ 1.11055173e-04 1.40343372e-04 7.42666292e-04] [-1.43048221e-04 2.16724152e-04 4.06986725e-04] [ 1.43048216e-04 2.16724151e-04 -4.06986728e-04] [-1.43048215e-04 -2.16724155e-04 -4.06986728e-04] [ 1.43048227e-04 -2.16724145e-04 4.06986721e-04] [ 4.51432377e-04 3.26833788e-05 -6.67682748e-04] [-4.51432372e-04 -3.26833759e-05 -6.67682745e-04] [-4.51432374e-04 3.26833722e-05 6.67682747e-04] [ 4.51432375e-04 -3.26833765e-05 6.67682750e-04] [ 4.59426754e-04 -3.37044271e-04 -5.02791864e-05] [-4.59426754e-04 3.37044258e-04 -5.02791912e-05] [-4.59426764e-04 -3.37044265e-04 5.02791925e-05] [ 4.59426761e-04 3.37044270e-04 5.02791887e-05]] Final stress: [-2.64370364e-05 -2.98710581e-05 -2.99933707e-05 6.22712892e-15 -5.97863447e-15 2.19182124e-15] Minimization converged after 99 steps. Minimization converged after 95 steps. Minimization converged after 81 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 1.92091456e-04 3.18446382e-03 5.41450146e-04] [ 2.64978297e-03 -2.92421297e-03 -8.10952055e-03] [-1.92091454e-04 3.18446382e-03 -5.41450146e-04] [-2.64978297e-03 -2.92421297e-03 8.10952055e-03] [ 3.06891855e-03 1.98930590e-04 1.33564785e-03] [-6.94533570e-03 4.98582224e-03 3.73796834e-04] [-3.06891855e-03 1.98930590e-04 -1.33564785e-03] [ 6.94533570e-03 4.98582224e-03 -3.73796836e-04] [ 2.07057167e-03 -2.74802295e-03 -1.14949817e-04] [ 8.88994780e-05 -2.91512465e-04 -2.24162740e-03] [-8.88994780e-05 -2.91512467e-04 2.24162740e-03] [-2.07057167e-03 -2.74802295e-03 1.14949820e-04] [ 1.30831354e-03 -1.11887692e-03 2.43882659e-03] [-1.30831354e-03 -1.11887692e-03 -2.43882659e-03] [-2.79492773e-03 -3.00211505e-03 4.50634370e-03] [ 2.79492773e-03 -3.00211505e-03 -4.50634370e-03] [-4.19724354e-03 -4.63278512e-03 1.32302608e-03] [ 6.58218533e-04 4.14546380e-04 -6.20297825e-03] [ 4.19724354e-03 -4.63278512e-03 -1.32302608e-03] [-6.58218535e-04 4.14546378e-04 6.20297825e-03] [-1.60761264e-03 4.28003277e-03 1.90556607e-03] [-2.17139547e-03 1.65372966e-03 8.45645789e-04] [ 1.60761264e-03 4.28003277e-03 -1.90556607e-03] [ 2.17139547e-03 1.65372966e-03 -8.45645787e-04]] Final stress: [ 1.85821724e-04 2.14158880e-05 1.95247684e-04 -5.18614932e-15 -1.75958224e-04 4.40216194e-15] Minimization converged after 105 steps. Minimization converged after 100 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 70 steps. Final forces: [[-0.00476284 -0.00138255 -0.0150831 ] [ 0.01246816 0.01473727 0.01260919] [ 0.00476279 -0.0013825 0.01508307] [-0.01246808 0.01473718 -0.01260923] [ 0.02530096 -0.01567965 0.01135999] [-0.00257427 0.01984702 0.00389912] [-0.02530093 -0.01567969 -0.01135995] [ 0.00257422 0.0198471 -0.00389904] [-0.03189169 -0.00031695 -0.04499607] [-0.03301878 -0.02669735 -0.02314714] [ 0.03301878 -0.02669742 0.02314717] [ 0.03189168 -0.00031698 0.04499607] [-0.00498831 -0.00923453 -0.00435147] [ 0.00498832 -0.00923452 0.00435148] [-0.01020518 0.00012649 0.0350236 ] [ 0.01020521 0.00012655 -0.03502362] [ 0.01781381 0.00694895 0.0014722 ] [-0.04574656 0.00506005 -0.01028176] [-0.01781382 0.00694883 -0.00147222] [ 0.04574656 0.00506018 0.01028172] [ 0.00551052 -0.00621441 0.00472501] [ 0.00692128 0.01280561 0.00023071] [-0.00551048 -0.00621437 -0.00472502] [-0.00692135 0.01280567 -0.00023072]] Final stress: [ 3.07524275e-03 1.13710121e-02 3.52377959e-03 2.85637959e-11 -7.35108338e-05 -1.11737295e-10] Minimization converged after 102 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 0.05797157 0.00244504 0.0316906 ] [-0.05797157 -0.00244504 0.0316906 ] [ 0.01753326 -0.01816014 -0.01724551] [-0.01753326 0.01816014 -0.01724551] [-0.040188 0.00262974 -0.01028426] [ 0.040188 -0.00262974 -0.01028426] [ 0.086517 -0.03544723 -0.03921593] [-0.086517 0.03544723 -0.03921593] [ 0.03928224 0.00623277 -0.00781278] [-0.00232931 -0.01748539 0.06273036] [-0.03928224 -0.00623277 -0.00781278] [ 0.00232931 0.01748539 0.06273036] [ 0.06121482 0.05864146 0.02119112] [ 0.04060544 -0.01360343 -0.00962104] [-0.04060544 0.01360343 -0.00962104] [-0.06121482 -0.05864146 0.02119112] [ 0.10120111 0.000539 -0.00403102] [-0.10120111 -0.000539 -0.00403102] [ 0.07641771 0.04699312 -0.05074727] [-0.07641771 -0.04699312 -0.05074727] [ 0.06770934 -0.04274133 -0.01315502] [-0.06770934 0.04274133 -0.01315502] [ 0.00308231 0.02279404 0.03650074] [-0.00308231 -0.02279404 0.03650074]] Final stress: [ 3.39399565e-04 1.79572907e-03 4.30383165e-04 2.04769409e-14 1.13280789e-13 -9.68241771e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[-0.01827395 -0.01801783 0.01921375] [ 0.01827395 0.01801783 0.01921375] [-0.05892898 0.00118637 -0.03370554] [ 0.05892898 -0.00118637 -0.03370554] [-0.08968512 -0.03536228 0.04043366] [ 0.08968512 0.03536228 0.04043366] [ 0.04097925 0.0031473 0.00949889] [-0.04097925 -0.0031473 0.00949889] [-0.00232425 0.01794917 -0.06332594] [ 0.03971271 -0.00541191 0.00661767] [ 0.00232425 -0.01794917 -0.06332594] [-0.03971271 0.00541191 0.00661767] [-0.04016209 -0.01390702 0.01026658] [-0.06047619 0.05960288 -0.02197836] [ 0.06047619 -0.05960288 -0.02197836] [ 0.04016209 0.01390702 0.01026658] [-0.07650056 0.04856865 0.0522603 ] [ 0.07650056 -0.04856865 0.0522603 ] [-0.10287759 0.00112634 0.00431175] [ 0.10287759 -0.00112634 0.00431175] [-0.00285379 0.02421216 -0.03759629] [ 0.00285379 -0.02421216 -0.03759629] [-0.06874436 -0.04308098 0.01400353] [ 0.06874436 0.04308098 0.01400353]] Final stress: [ 3.52030650e-04 1.83793956e-03 4.38970683e-04 -6.37356347e-14 -3.75381446e-13 1.00299563e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.00087758 -0.00028221 -0.00177537] [ 0.00087758 0.00028221 -0.00177537] [ 0.00087758 -0.00028221 0.00177537] [-0.00087758 0.00028221 0.00177537] [-0.00436373 -0.0007836 -0.00069506] [ 0.00436373 0.0007836 -0.00069506] [ 0.00436373 -0.0007836 0.00069506] [-0.00436373 0.0007836 0.00069506] [ 0.00078254 -0.00056732 0.00108573] [ 0.00078254 0.00056732 -0.00108573] [-0.00078254 0.00056732 0.00108573] [-0.00078254 -0.00056732 -0.00108573] [ 0.0028805 -0.00043052 -0.00130116] [-0.0028805 -0.00043052 0.00130116] [ 0.0028805 0.00043052 0.00130116] [-0.0028805 0.00043052 -0.00130116] [ 0.0010206 -0.00183039 0.00224611] [-0.0010206 0.00183039 0.00224611] [-0.0010206 -0.00183039 -0.00224611] [ 0.0010206 0.00183039 -0.00224611] [-0.00091209 0.0001161 0.00206006] [ 0.00091209 -0.0001161 0.00206006] [ 0.00091209 0.0001161 -0.00206006] [-0.00091209 -0.0001161 -0.00206006]] Final stress: [ 9.72538317e-06 9.35655731e-06 -2.05326227e-05 1.89505074e-15 3.06298120e-15 1.43769507e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.00234508 0.00093523 0.0048216 ] [-0.00234508 -0.00093523 0.0048216 ] [-0.00234508 0.00093523 -0.0048216 ] [ 0.00234508 -0.00093523 -0.0048216 ] [ 0.00962289 0.00086535 0.00144947] [-0.00962289 -0.00086535 0.00144947] [-0.00962289 0.00086535 -0.00144947] [ 0.00962289 -0.00086535 -0.00144947] [-0.00064585 0.00126643 -0.0024288 ] [-0.00064585 -0.00126643 0.0024288 ] [ 0.00064585 -0.00126643 -0.0024288 ] [ 0.00064585 0.00126643 0.0024288 ] [-0.00651386 0.00141693 0.00306335] [ 0.00651386 0.00141693 -0.00306335] [-0.00651386 -0.00141693 -0.00306335] [ 0.00651386 -0.00141693 0.00306335] [-0.00183466 0.00435545 -0.00472334] [ 0.00183466 -0.00435545 -0.00472334] [ 0.00183466 0.00435545 0.00472334] [-0.00183466 -0.00435545 0.00472334] [ 0.00189236 -0.00031191 -0.00426894] [-0.00189236 0.00031191 -0.00426894] [-0.00189236 -0.00031191 0.00426894] [ 0.00189236 0.00031191 0.00426894]] Final stress: [ 1.59678385e-05 1.53916016e-05 1.22487117e-04 1.25472309e-14 -6.47697602e-15 -8.42225991e-15] Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 62 steps. Final forces: [[-0.01428247 0.03950791 -0.02905522] [-0.04927454 0.02472068 -0.01759266] [-0.04927452 -0.02472069 0.01759267] [-0.01428245 -0.03950792 0.0290552 ] [ 0.02869184 -0.09966161 0.04230187] [ 0.00770611 -0.07753356 0.03150766] [ 0.0077061 0.07753356 -0.03150765] [ 0.02869184 0.09966161 -0.04230188] [ 0.10166863 0.04638452 0.09027468] [ 0.10166863 -0.04638451 -0.09027466] [ 0.08272303 0.02098487 -0.07534751] [ 0.08272304 -0.02098487 0.07534751] [-0.05674156 0.05611581 -0.01338938] [ 0.08729931 -0.07809733 0.11711835] [-0.05674158 -0.05611579 0.01338939] [ 0.08729934 0.07809735 -0.11711837] [-0.1236124 -0.07273298 0.01896216] [-0.05969796 -0.02407687 0.02672563] [-0.05969798 0.02407686 -0.02672563] [-0.12361243 0.07273297 -0.01896217] [-0.01254943 -0.01912236 0.08552421] [ 0.00806943 -0.07537042 0.00303877] [ 0.00806944 0.07537041 -0.0030388 ] [-0.01254941 0.01912236 -0.08552419]] Final stress: [ 8.06207195e-03 3.54540888e-03 2.17861135e-03 -2.40898542e-04 -2.14220117e-11 2.59444868e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[ 0.03255239 0.0584799 0.00190897] [-0.01807057 0.01787509 -0.01813552] [-0.01807057 -0.01787509 0.01813552] [ 0.03255239 -0.0584799 -0.00190897] [ 0.02148861 0.06085362 0.05914759] [-0.00995253 0.04051466 -0.01384426] [-0.00995253 -0.04051466 0.01384426] [ 0.02148861 -0.06085362 -0.05914759] [-0.00994388 -0.04049948 0.00279554] [-0.00994388 0.04049948 -0.00279554] [-0.03979709 0.08794457 -0.03541832] [-0.0397971 -0.08794457 0.03541832] [-0.00727311 0.0394174 0.00597284] [ 0.06313835 -0.0023096 -0.01773828] [-0.00727311 -0.0394174 -0.00597284] [ 0.06313835 0.0023096 0.01773828] [-0.00413684 0.10197824 0.00078814] [-0.05148856 0.07640523 0.04787021] [-0.05148856 -0.07640523 -0.04787021] [-0.00413684 -0.10197824 -0.00078814] [-0.01358039 0.06804331 -0.04290461] [ 0.03706363 0.0032197 0.02326301] [ 0.03706363 -0.0032197 -0.02326301] [-0.01358039 -0.06804331 0.04290461]] Final stress: [ 4.36130340e-04 3.46495043e-04 1.81612001e-03 -9.83517869e-04 2.93205022e-14 -7.60803812e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 29 steps. Final forces: [[ 0.02017848 -0.01858987 -0.01812295] [-0.03456697 -0.05901251 0.00047822] [-0.03456697 0.05901251 -0.00047822] [ 0.02017848 0.01858987 0.01812295] [ 0.01048618 -0.04002481 -0.01405742] [-0.02249102 -0.06019141 0.05967513] [-0.02249102 0.06019141 -0.05967513] [ 0.01048619 0.04002481 0.01405742] [ 0.04095781 -0.09087688 -0.03505889] [ 0.04095781 0.09087688 0.03505889] [ 0.00934904 0.04114254 0.00345953] [ 0.00934903 -0.04114254 -0.00345953] [-0.0633535 -0.00249492 0.01809721] [ 0.00584645 0.03985566 -0.00514707] [-0.0633535 0.00249492 -0.01809721] [ 0.00584645 -0.03985566 0.00514707] [ 0.0527147 -0.07658041 0.04904653] [ 0.00448127 -0.10349861 0.00124324] [ 0.00448127 0.10349861 -0.00124324] [ 0.0527147 0.07658041 -0.04904653] [-0.03800851 -0.00289009 0.02472992] [ 0.01440606 -0.06919034 -0.0432239 ] [ 0.01440606 0.06919034 0.0432239 ] [-0.03800851 0.00289009 -0.02472992]] Final stress: [4.38904163e-04 3.55241157e-04 1.85166300e-03 1.01804222e-03 9.23476956e-15 5.35725170e-14] Minimization converged after 101 steps. Minimization converged after 102 steps. Minimization converged after 83 steps. Minimization converged after 81 steps. Minimization converged after 108 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-0.00827343 -0.00268873 0.00302374] [ 0.00827343 0.00268873 0.00302374] [-0.00062472 0.00025727 -0.00322305] [ 0.00062472 -0.00025727 -0.00322305] [-0.00472365 -0.00291361 0.00306096] [ 0.00472365 0.00291361 0.00306096] [-0.00245657 0.00127842 0.00108145] [ 0.00245657 -0.00127842 0.00108145] [ 0.00038626 0.00706879 -0.00513986] [ 0.00153984 -0.00308301 -0.00016244] [-0.00038626 -0.00706879 -0.00513986] [-0.00153984 0.00308301 -0.00016244] [ 0.002304 0.00019779 0.00028741] [ 0.00020692 0.00218856 0.00285972] [-0.00020692 -0.00218856 0.00285972] [-0.002304 -0.00019779 0.00028741] [-0.00631001 -0.00063674 -0.00039821] [ 0.00631001 0.00063674 -0.00039821] [-0.00132472 -0.00438453 0.00473442] [ 0.00132472 0.00438453 0.00473442] [ 0.0008537 0.00227209 -0.00166513] [-0.0008537 -0.00227209 -0.00166513] [-0.00197226 -0.00157681 -0.004459 ] [ 0.00197226 0.00157681 -0.004459 ]] Final stress: [2.02670139e-04 1.92791277e-04 2.34627160e-05 1.52028501e-14 1.09263514e-14 1.80852730e-04] Minimization converged after 103 steps. Minimization converged after 101 steps. Minimization converged after 23 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 25 steps. Minimization converged after 23 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.01952964 0.03620495 0.0308381 ] [-0.01952964 -0.03620495 0.0308381 ] [-0.01952964 0.03620495 -0.0308381 ] [ 0.01952964 -0.03620495 -0.0308381 ] [-0.00474649 0.06532571 -0.05232915] [ 0.00474649 -0.06532571 -0.05232915] [ 0.00474649 0.06532572 0.05232914] [-0.00474649 -0.06532572 0.05232915] [ 0.04899449 -0.03969266 -0.01872878] [ 0.04899449 0.03969266 0.01872878] [-0.04899449 0.03969266 -0.01872878] [-0.04899449 -0.03969266 0.01872878] [ 0.0343793 0.03778808 -0.01167712] [-0.0343793 0.03778808 0.01167712] [ 0.0343793 -0.03778808 0.01167712] [-0.0343793 -0.03778808 -0.01167712] [ 0.03837862 -0.01303313 -0.08711626] [-0.03837862 0.01303313 -0.08711627] [-0.03837862 -0.01303313 0.08711626] [ 0.03837862 0.01303313 0.08711627] [ 0.04332335 -0.00937899 -0.05028837] [-0.04332335 0.009379 -0.05028837] [-0.04332335 -0.009379 0.05028837] [ 0.04332335 0.009379 0.05028837]] Final stress: [-3.46344674e-04 4.96789801e-04 2.22731138e-04 -1.25224588e-12 1.07426766e-12 2.89107197e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-1.76389578e-04 -3.11156927e-04 -3.50720651e-04] [ 1.76389598e-04 3.11156943e-04 -3.50720671e-04] [ 1.76389581e-04 -3.11156930e-04 3.50720656e-04] [-1.76389595e-04 3.11156938e-04 3.50720665e-04] [ 7.15262222e-05 -8.63734096e-04 5.23248205e-04] [-7.15262236e-05 8.63734099e-04 5.23248180e-04] [-7.15262127e-05 -8.63734115e-04 -5.23248185e-04] [ 7.15262246e-05 8.63734099e-04 -5.23248187e-04] [-3.05325806e-04 7.06287164e-04 2.58057281e-04] [-3.05325850e-04 -7.06287139e-04 -2.58057246e-04] [ 3.05325823e-04 -7.06287161e-04 2.58057285e-04] [ 3.05325803e-04 7.06287167e-04 -2.58057290e-04] [-2.60320073e-04 -1.19295650e-04 1.41822510e-04] [ 2.60320052e-04 -1.19295637e-04 -1.41822522e-04] [-2.60320011e-04 1.19295615e-04 -1.41822546e-04] [ 2.60320005e-04 1.19295617e-04 1.41822551e-04] [-5.68900527e-04 1.44946319e-04 8.18524385e-04] [ 5.68900478e-04 -1.44946305e-04 8.18524389e-04] [ 5.68900546e-04 1.44946303e-04 -8.18524423e-04] [-5.68900470e-04 -1.44946293e-04 -8.18524372e-04] [-2.39759946e-04 2.22225910e-04 6.39817235e-04] [ 2.39759985e-04 -2.22225919e-04 6.39817246e-04] [ 2.39759946e-04 2.22225917e-04 -6.39817230e-04] [-2.39759973e-04 -2.22225920e-04 -6.39817267e-04]] Final stress: [-2.37988949e-05 -5.81331337e-06 -6.87882838e-06 2.79343467e-14 9.56748546e-14 -2.36948894e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-1.79678624e-04 -1.16704815e-04 -1.09435339e-04] [ 1.79678622e-04 1.16704812e-04 -1.09435335e-04] [ 1.79678624e-04 -1.16704814e-04 1.09435337e-04] [-1.79678627e-04 1.16704817e-04 1.09435340e-04] [-6.96230020e-05 8.23517357e-04 -5.37368873e-05] [ 6.96230012e-05 -8.23517356e-04 -5.37368854e-05] [ 6.96229982e-05 8.23517362e-04 5.37368799e-05] [-6.96229944e-05 -8.23517366e-04 5.37368741e-05] [-1.64494183e-04 -3.42296587e-04 1.40252639e-04] [-1.64494191e-04 3.42296591e-04 -1.40252635e-04] [ 1.64494199e-04 3.42296600e-04 1.40252623e-04] [ 1.64494197e-04 -3.42296596e-04 -1.40252628e-04] [-2.08242177e-04 5.05678141e-04 -6.04464847e-04] [ 2.08242173e-04 5.05678150e-04 6.04464845e-04] [-2.08242173e-04 -5.05678138e-04 6.04464846e-04] [ 2.08242174e-04 -5.05678145e-04 -6.04464848e-04] [ 8.80172493e-05 7.61707112e-04 -5.89433580e-04] [-8.80172621e-05 -7.61707125e-04 -5.89433584e-04] [-8.80172536e-05 7.61707126e-04 5.89433594e-04] [ 8.80172533e-05 -7.61707120e-04 5.89433586e-04] [ 1.40808706e-04 3.91491222e-04 -5.02800740e-04] [-1.40808706e-04 -3.91491212e-04 -5.02800741e-04] [-1.40808715e-04 3.91491207e-04 5.02800740e-04] [ 1.40808711e-04 -3.91491221e-04 5.02800747e-04]] Final stress: [ 1.74309104e-05 1.72326203e-05 1.79883237e-05 -1.47904569e-14 6.20131829e-15 3.38409884e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.01388118e-03 -1.91348248e-03 9.97959754e-04] [-1.01388116e-03 1.91348250e-03 9.97959732e-04] [-1.01388117e-03 -1.91348249e-03 -9.97959744e-04] [ 1.01388115e-03 1.91348250e-03 -9.97959733e-04] [-1.63850385e-03 -9.33347102e-05 5.77145733e-04] [ 1.63850383e-03 9.33346771e-05 5.77145732e-04] [ 1.63850382e-03 -9.33346632e-05 -5.77145763e-04] [-1.63850383e-03 9.33346856e-05 -5.77145726e-04] [-2.20986117e-04 8.60187604e-04 1.65773362e-03] [-2.20986127e-04 -8.60187613e-04 -1.65773364e-03] [ 2.20986099e-04 -8.60187628e-04 1.65773365e-03] [ 2.20986104e-04 8.60187622e-04 -1.65773364e-03] [-1.33748016e-03 -3.21954311e-04 9.75188938e-04] [ 1.33748017e-03 -3.21954334e-04 -9.75188933e-04] [-1.33748011e-03 3.21954277e-04 -9.75188973e-04] [ 1.33748011e-03 3.21954289e-04 9.75188972e-04] [ 5.44865996e-04 -8.96460245e-04 6.74826086e-04] [-5.44866020e-04 8.96460277e-04 6.74826069e-04] [-5.44865970e-04 -8.96460233e-04 -6.74826077e-04] [ 5.44866025e-04 8.96460253e-04 -6.74826066e-04] [ 7.81032461e-04 1.20887408e-03 -2.06864586e-03] [-7.81032425e-04 -1.20887410e-03 -2.06864581e-03] [-7.81032464e-04 1.20887411e-03 2.06864586e-03] [ 7.81032454e-04 -1.20887406e-03 2.06864581e-03]] Final stress: [-1.82403076e-05 1.09322391e-05 -2.58358528e-06 1.22291120e-14 6.92078891e-14 3.19284417e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00094273 0.00195302 -0.00091381] [ 0.00094273 -0.00195302 -0.00091381] [ 0.00094273 0.00195302 0.00091381] [-0.00094273 -0.00195302 0.00091381] [ 0.00182842 0.00037878 -0.00045778] [-0.00182842 -0.00037878 -0.00045778] [-0.00182842 0.00037878 0.00045778] [ 0.00182842 -0.00037878 0.00045778] [ 0.00019861 -0.00076825 -0.00156044] [ 0.00019861 0.00076825 0.00156044] [-0.00019861 0.00076825 -0.00156044] [-0.00019861 -0.00076825 0.00156044] [ 0.00140555 0.00029255 -0.0008663 ] [-0.00140555 0.00029256 0.0008663 ] [ 0.00140555 -0.00029256 0.0008663 ] [-0.00140555 -0.00029256 -0.0008663 ] [-0.00027285 0.00096504 -0.00037371] [ 0.00027285 -0.00096504 -0.00037371] [ 0.00027285 0.00096504 0.00037371] [-0.00027285 -0.00096504 0.00037371] [-0.0009016 -0.00113619 0.00196011] [ 0.0009016 0.00113619 0.00196011] [ 0.0009016 -0.00113619 -0.00196011] [-0.0009016 0.00113619 -0.00196011]] Final stress: [ 1.06872906e-05 -1.78886309e-05 -2.55776622e-06 -1.74820980e-14 8.21331423e-14 3.91937718e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00132369 -0.00215607 -0.00062819] [ 0.00132369 0.00215607 -0.00062819] [ 0.00132369 -0.00215607 0.00062819] [-0.00132369 0.00215607 0.00062819] [ 0.00017056 -0.0021708 0.00147018] [-0.00017056 0.0021708 0.00147018] [-0.00017056 -0.0021708 -0.00147018] [ 0.00017056 0.0021708 -0.00147018] [ 0.00049789 -0.00119983 -0.00033441] [ 0.00049789 0.00119983 0.00033441] [-0.00049789 0.00119983 -0.00033441] [-0.00049789 -0.00119983 0.00033441] [ 0.00091434 -0.00211356 0.00034332] [-0.00091434 -0.00211356 -0.00034332] [ 0.00091434 0.00211356 -0.00034332] [-0.00091434 0.00211356 0.00034332] [ 0.00107254 -0.00060228 0.00230018] [-0.00107254 0.00060228 0.00230018] [-0.00107254 -0.00060228 -0.00230018] [ 0.00107254 0.00060228 -0.00230018] [ 0.00024713 -0.00011613 0.00179021] [-0.00024713 0.00011613 0.00179021] [-0.00024713 -0.00011613 -0.00179021] [ 0.00024713 0.00011613 -0.00179021]] Final stress: [-1.42732955e-05 -1.50591382e-05 -2.57055515e-05 -8.62065333e-14 -5.66771255e-14 -1.92093426e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.0004486 -0.00035582 -0.00063132] [ 0.0004486 0.00035582 -0.00063132] [ 0.0004486 -0.00035582 0.00063132] [-0.0004486 0.00035582 0.00063132] [-0.00098466 0.00036089 -0.0004528 ] [ 0.00098466 -0.00036089 -0.0004528 ] [ 0.00098466 0.00036089 0.0004528 ] [-0.00098466 -0.00036089 0.0004528 ] [ 0.0014256 -0.00172452 -0.00056732] [ 0.00142559 0.00172452 0.00056732] [-0.00142559 0.00172452 -0.00056732] [-0.00142559 -0.00172452 0.00056732] [ 0.00229212 -0.00016367 -0.00021163] [-0.00229212 -0.00016367 0.00021163] [ 0.00229212 0.00016367 0.00021163] [-0.00229212 0.00016367 -0.00021163] [ 0.00216517 -0.0015726 0.00031747] [-0.00216517 0.0015726 0.00031747] [-0.00216517 -0.0015726 -0.00031747] [ 0.00216517 0.0015726 -0.00031747] [ 0.00117868 -0.00136238 0.00038301] [-0.00117868 0.00136238 0.00038301] [-0.00117868 -0.00136238 -0.00038301] [ 0.00117868 0.00136238 -0.00038301]] Final stress: [ 5.52456867e-06 3.23827259e-05 6.16785539e-06 -3.51072771e-14 3.80135843e-14 -7.21824026e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00195733 -0.00091692 -0.00094415] [-0.00195733 0.00091692 -0.00094415] [-0.00195733 -0.00091692 0.00094415] [ 0.00195733 0.00091692 0.00094415] [-0.00077269 -0.00156951 0.00019517] [ 0.00077269 0.00156951 0.00019517] [ 0.00077269 -0.00156951 -0.00019517] [-0.00077269 0.00156951 -0.00019517] [ 0.00029742 -0.00086517 0.00141585] [ 0.00029742 0.00086517 -0.00141585] [-0.00029742 0.00086517 0.00141585] [-0.00029742 -0.00086517 -0.00141585] [ 0.00037811 -0.00045982 0.00183208] [-0.00037811 -0.00045982 -0.00183208] [ 0.00037811 0.00045982 -0.00183208] [-0.00037811 0.00045982 0.00183208] [ 0.00096983 -0.00037123 -0.0002802 ] [-0.00096983 0.00037123 -0.0002802 ] [-0.00096983 -0.00037123 0.0002802 ] [ 0.00096983 0.00037123 0.0002802 ] [-0.00113891 0.00196181 -0.00090065] [ 0.00113891 -0.00196181 -0.00090065] [ 0.00113891 0.00196181 0.00090065] [-0.00113891 -0.00196181 0.00090065]] Final stress: [-1.78980314e-05 -2.56678003e-06 1.06770568e-05 9.38140223e-14 -5.72826502e-15 -1.75802097e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.90980511e-03 9.95640324e-04 1.01276806e-03] [ 1.90980514e-03 -9.95640297e-04 1.01276803e-03] [ 1.90980512e-03 9.95640312e-04 -1.01276804e-03] [-1.90980512e-03 -9.95640322e-04 -1.01276805e-03] [ 8.58454331e-04 1.65294817e-03 -2.20371953e-04] [-8.58454305e-04 -1.65294813e-03 -2.20372019e-04] [-8.58454301e-04 1.65294813e-03 2.20371998e-04] [ 8.58454300e-04 -1.65294812e-03 2.20372000e-04] [-3.20982656e-04 9.72888838e-04 -1.33403334e-03] [-3.20982652e-04 -9.72888831e-04 1.33403334e-03] [ 3.20982630e-04 -9.72888871e-04 -1.33403327e-03] [ 3.20982609e-04 9.72888875e-04 1.33403327e-03] [-9.24435194e-05 5.76221438e-04 -1.63474540e-03] [ 9.24434902e-05 5.76221449e-04 1.63474538e-03] [-9.24434789e-05 -5.76221465e-04 1.63474537e-03] [ 9.24434733e-05 -5.76221442e-04 -1.63474537e-03] [-8.93188284e-04 6.74242224e-04 5.42347737e-04] [ 8.93188283e-04 -6.74242216e-04 5.42347777e-04] [ 8.93188283e-04 6.74242176e-04 -5.42347813e-04] [-8.93188242e-04 -6.74242204e-04 -5.42347710e-04] [ 1.20614385e-03 -2.06321181e-03 7.78387770e-04] [-1.20614382e-03 2.06321175e-03 7.78387771e-04] [-1.20614383e-03 -2.06321176e-03 -7.78387732e-04] [ 1.20614381e-03 2.06321177e-03 -7.78387801e-04]] Final stress: [ 1.08883600e-05 -2.57510479e-06 -1.81792866e-05 1.01298798e-13 7.53992296e-14 -5.40730548e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00124316 -0.00018599 -0.00066475] [ 0.00124316 0.00018599 -0.00066475] [ 0.00124316 -0.00018599 0.00066475] [-0.00124316 0.00018599 0.00066475] [-0.00060928 -0.00027509 0.00038945] [ 0.00060928 0.00027509 0.00038945] [ 0.00060928 -0.00027509 -0.00038945] [-0.00060928 0.00027509 -0.00038945] [-0.00162785 0.00040268 0.00071708] [-0.00162785 -0.00040268 -0.00071708] [ 0.00162785 -0.00040268 0.00071708] [ 0.00162785 0.00040268 -0.00071708] [-0.00176915 0.00115091 0.0001406 ] [ 0.00176915 0.00115091 -0.0001406 ] [-0.00176915 -0.00115091 -0.0001406 ] [ 0.00176915 -0.00115091 0.0001406 ] [-0.00071914 0.00143789 0.00052383] [ 0.00071914 -0.00143789 0.00052383] [ 0.00071914 0.00143789 -0.00052383] [-0.00071914 -0.00143789 -0.00052383] [-0.00024394 0.00136174 0.00022697] [ 0.00024394 -0.00136174 0.00022697] [ 0.00024394 0.00136174 -0.00022697] [-0.00024394 -0.00136174 -0.00022697]] Final stress: [-1.39916914e-05 -1.93161763e-05 -1.34159905e-05 5.20765135e-14 7.62105114e-14 -4.03459878e-14] Minimization converged after 107 steps. Minimization converged after 103 steps. Minimization converged after 91 steps. Minimization converged after 92 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 2.81741604e-03 -2.35990641e-03 1.86700156e-03] [-1.07390930e-03 2.04654777e-03 -2.78543703e-03] [-2.81741604e-03 -2.35990641e-03 -1.86700156e-03] [ 1.07390930e-03 2.04654777e-03 2.78543703e-03] [-2.10801517e-03 1.72940281e-03 1.52210369e-04] [-7.05164576e-04 4.83562781e-04 -4.43723195e-06] [ 2.10801516e-03 1.72940281e-03 -1.52210365e-04] [ 7.05164575e-04 4.83562784e-04 4.43723060e-06] [ 9.38762913e-04 -1.12080396e-03 -6.22314386e-04] [-1.48225138e-05 -1.23765855e-03 -2.50917530e-03] [ 1.48225066e-05 -1.23765855e-03 2.50917531e-03] [-9.38762918e-04 -1.12080395e-03 6.22314374e-04] [-7.21833798e-05 -1.72341318e-03 4.72896318e-03] [ 7.21833755e-05 -1.72341318e-03 -4.72896319e-03] [-2.93994756e-03 -7.23907522e-04 -2.39412408e-04] [ 2.93994756e-03 -7.23907522e-04 2.39412410e-04] [-1.41929494e-03 -1.54711790e-03 -3.95960098e-04] [-1.77027531e-04 7.99742804e-04 -3.42995414e-03] [ 1.41929495e-03 -1.54711789e-03 3.95960086e-04] [ 1.77027534e-04 7.99742804e-04 3.42995415e-03] [-1.33363438e-03 1.96649720e-03 -5.19134748e-05] [-1.81338620e-03 1.68705415e-03 1.08062800e-03] [ 1.33363438e-03 1.96649721e-03 5.19134835e-05] [ 1.81338620e-03 1.68705416e-03 -1.08062800e-03]] Final stress: [-1.50821017e-05 7.26924257e-05 7.12374614e-05 1.14026841e-14 -1.12231537e-04 9.58370213e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.07475395e-03 -2.04545525e-03 -2.78790235e-03] [-2.81748507e-03 2.36227039e-03 1.87020167e-03] [-1.07475396e-03 -2.04545525e-03 2.78790234e-03] [ 2.81748507e-03 2.36227040e-03 -1.87020166e-03] [ 7.05765869e-04 -4.76986241e-04 -4.85030843e-06] [ 2.10984458e-03 -1.73108793e-03 1.50669149e-04] [-7.05765877e-04 -4.76986232e-04 4.85029739e-06] [-2.10984457e-03 -1.73108794e-03 -1.50669148e-04] [-1.56904905e-05 1.23315142e-03 2.51185530e-03] [ 9.33781594e-04 1.12228277e-03 6.23327975e-04] [-9.33781577e-04 1.12228279e-03 -6.23328006e-04] [ 1.56905119e-05 1.23315139e-03 -2.51185527e-03] [-2.93572928e-03 7.20865639e-04 2.41132155e-04] [ 2.93572929e-03 7.20865644e-04 -2.41132147e-04] [-7.24766743e-05 1.72296300e-03 -4.72920464e-03] [ 7.24766712e-05 1.72296299e-03 4.72920464e-03] [ 1.80986345e-04 -7.97343696e-04 -3.42655282e-03] [ 1.41998439e-03 1.54457148e-03 -3.96360131e-04] [-1.80986349e-04 -7.97343676e-04 3.42655284e-03] [-1.41998440e-03 1.54457148e-03 3.96360106e-04] [ 1.80933653e-03 -1.69082594e-03 1.08371944e-03] [ 1.33099184e-03 -1.96440564e-03 -5.56789726e-05] [-1.80933654e-03 -1.69082596e-03 -1.08371946e-03] [-1.33099184e-03 -1.96440566e-03 5.56789858e-05]] Final stress: [-1.52951944e-05 7.25848524e-05 7.11287030e-05 -5.39634927e-14 1.12363212e-04 2.35434365e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.57720539e-03 6.52963627e-03 8.45270251e-03] [ 7.55823210e-03 -3.32655918e-03 -5.29637148e-03] [ 1.57720539e-03 6.52963627e-03 -8.45270251e-03] [-7.55823211e-03 -3.32655917e-03 5.29637149e-03] [-5.51830768e-04 -7.12051659e-04 2.52107522e-03] [-4.63605885e-03 6.10253783e-03 1.00939839e-03] [ 5.51830755e-04 -7.12051643e-04 -2.52107523e-03] [ 4.63605887e-03 6.10253780e-03 -1.00939841e-03] [ 1.07941051e-03 -1.68438823e-03 -3.07913440e-03] [ 8.53402744e-04 -2.20130324e-03 2.43008584e-05] [-8.53402745e-04 -2.20130323e-03 -2.43008705e-05] [-1.07941050e-03 -1.68438824e-03 3.07913440e-03] [ 4.14812041e-03 -1.81798718e-03 -3.72762228e-03] [-4.14812041e-03 -1.81798718e-03 3.72762228e-03] [-1.10661781e-04 -6.44609738e-03 1.13412746e-02] [ 1.10661788e-04 -6.44609739e-03 -1.13412746e-02] [-2.79537145e-04 1.58231727e-04 9.57788924e-03] [-2.61456066e-03 -3.17828805e-03 -2.55966011e-03] [ 2.79537151e-04 1.58231747e-04 -9.57788922e-03] [ 2.61456066e-03 -3.17828806e-03 2.55966012e-03] [-3.02726921e-03 4.21795645e-03 9.34928426e-04] [-4.63675205e-03 2.35831267e-03 2.82622908e-03] [ 3.02726919e-03 4.21795642e-03 -9.34928423e-04] [ 4.63675206e-03 2.35831266e-03 -2.82622907e-03]] Final stress: [ 1.70460311e-04 -6.82853376e-05 -7.67370502e-05 -3.86325666e-14 -2.99998123e-04 2.25223528e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.02330557 -0.00021779 -0.01812904] [-0.00310014 -0.01468427 0.02097901] [ 0.02330557 -0.00021779 0.01812904] [ 0.00310014 -0.01468427 -0.02097901] [ 0.01141537 -0.0121818 0.00051658] [ 0.00094805 0.00312411 0.01245549] [-0.01141537 -0.0121818 -0.00051658] [-0.00094805 0.00312411 -0.01245549] [ 0.00833388 0.0075687 -0.00073274] [ 0.00141687 0.00958442 0.01432716] [-0.00141687 0.00958442 -0.01432716] [-0.00833388 0.0075687 0.00073274] [ 0.00010564 0.01807438 -0.02515991] [-0.00010564 0.01807438 0.02515991] [ 0.00712947 0.00083378 0.0100925 ] [-0.00712947 0.00083378 -0.0100925 ] [ 0.0056106 0.00530291 -0.0029362 ] [ 0.00539242 0.00061186 0.01949608] [-0.0056106 0.00530291 0.0029362 ] [-0.00539242 0.00061186 -0.01949608] [ 0.01813963 -0.00389329 0.01622255] [ 0.00860893 -0.01412303 -0.0035722 ] [-0.01813963 -0.00389329 -0.01622255] [-0.00860893 -0.01412303 0.0035722 ]] Final stress: [5.73842173e-04 8.63810199e-05 1.00836050e-04 2.76086964e-15 5.62995710e-04 3.04440005e-13] Minimization converged after 96 steps. Minimization converged after 96 steps. Minimization converged after 79 steps. Minimization converged after 78 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.03087791 0.01938053 0.03621919] [-0.03087791 -0.01938053 0.03621919] [-0.03087791 0.01938053 -0.03621919] [ 0.03087791 -0.01938053 -0.03621919] [-0.01183556 0.03430211 0.03794393] [ 0.01183556 -0.03430211 0.03794392] [ 0.01183556 0.03430211 -0.03794393] [-0.01183556 -0.03430211 -0.03794393] [-0.05239256 -0.00488426 0.06541669] [-0.05239257 0.00488426 -0.06541669] [ 0.05239256 0.00488426 0.06541669] [ 0.05239257 -0.00488426 -0.06541668] [-0.01872382 0.049211 -0.03992573] [ 0.01872382 0.049211 0.03992574] [-0.01872382 -0.049211 0.03992573] [ 0.01872382 -0.049211 -0.03992573] [-0.08746218 0.03861589 -0.01303264] [ 0.08746218 -0.03861589 -0.01303264] [ 0.08746219 0.03861589 0.01303264] [-0.08746219 -0.03861589 0.01303264] [-0.05018061 0.04355316 -0.00933199] [ 0.05018061 -0.04355316 -0.00933199] [ 0.05018061 0.04355316 0.00933199] [-0.05018061 -0.04355316 0.00933199]] Final stress: [ 2.26623328e-04 -3.42314919e-04 5.01872235e-04 5.85916021e-13 -3.49608323e-13 4.19542068e-12] Minimization converged after 49 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-6.82440175e-05 -1.04969512e-04 -3.76532395e-05] [ 6.82440163e-05 1.04969512e-04 -3.76532385e-05] [ 6.82440203e-05 -1.04969516e-04 3.76532428e-05] [-6.82440144e-05 1.04969510e-04 3.76532362e-05] [-4.96379414e-04 -1.89696402e-04 4.51968777e-04] [ 4.96379418e-04 1.89696407e-04 4.51968778e-04] [ 4.96379412e-04 -1.89696397e-04 -4.51968778e-04] [-4.96379414e-04 1.89696400e-04 -4.51968783e-04] [-6.44268737e-05 -5.51815271e-05 7.16771411e-04] [-6.44268710e-05 5.51815276e-05 -7.16771408e-04] [ 6.44268708e-05 5.51815258e-05 7.16771411e-04] [ 6.44268711e-05 -5.51815226e-05 -7.16771416e-04] [ 1.24046273e-04 -1.41943214e-04 -2.49143149e-04] [-1.24046265e-04 -1.41943223e-04 2.49143153e-04] [ 1.24046255e-04 1.41943228e-04 2.49143161e-04] [-1.24046260e-04 1.41943224e-04 -2.49143157e-04] [-5.36820817e-04 4.54117236e-05 6.29246153e-04] [ 5.36820826e-04 -4.54117257e-05 6.29246160e-04] [ 5.36820819e-04 4.54117298e-05 -6.29246156e-04] [-5.36820828e-04 -4.54117375e-05 -6.29246152e-04] [-4.48139000e-04 1.12662069e-04 3.14364066e-04] [ 4.48138992e-04 -1.12662078e-04 3.14364054e-04] [ 4.48139000e-04 1.12662069e-04 -3.14364067e-04] [-4.48138997e-04 -1.12662069e-04 -3.14364057e-04]] Final stress: [ 1.69585925e-05 1.84665285e-05 1.82915508e-05 6.48673080e-15 -1.74890845e-14 7.26288735e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 9.99944575e-04 1.01984278e-03 -1.92085081e-03] [-9.99944565e-04 -1.01984277e-03 -1.92085083e-03] [-9.99944557e-04 1.01984276e-03 1.92085083e-03] [ 9.99944565e-04 -1.01984277e-03 1.92085082e-03] [ 9.74878092e-04 -1.34014038e-03 -3.24668573e-04] [-9.74878065e-04 1.34014042e-03 -3.24668608e-04] [-9.74878090e-04 -1.34014038e-03 3.24668576e-04] [ 9.74878107e-04 1.34014036e-03 3.24668556e-04] [ 5.76373056e-04 -1.64166749e-03 -9.35602145e-05] [ 5.76373070e-04 1.64166747e-03 9.35601802e-05] [-5.76373075e-04 1.64166746e-03 -9.35601671e-05] [-5.76373063e-04 -1.64166746e-03 9.35601672e-05] [ 1.66094651e-03 -2.17197009e-04 8.64124070e-04] [-1.66094650e-03 -2.17197032e-04 -8.64124067e-04] [ 1.66094651e-03 2.17197010e-04 -8.64124075e-04] [-1.66094648e-03 2.17197029e-04 8.64124059e-04] [ 6.76915396e-04 5.47898326e-04 -9.00396461e-04] [-6.76915397e-04 -5.47898293e-04 -9.00396420e-04] [-6.76915413e-04 5.47898321e-04 9.00396446e-04] [ 6.76915384e-04 -5.47898352e-04 9.00396481e-04] [-2.07737686e-03 7.85680280e-04 1.21276640e-03] [ 2.07737682e-03 -7.85680286e-04 1.21276639e-03] [ 2.07737680e-03 7.85680277e-04 -1.21276635e-03] [-2.07737683e-03 -7.85680267e-04 -1.21276639e-03]] Final stress: [-2.59002390e-06 -1.83370238e-05 1.10098873e-05 8.82992976e-14 -1.81180538e-14 2.50064622e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00091689 -0.00094437 0.00195751] [ 0.00091689 0.00094437 0.00195751] [ 0.00091689 -0.00094437 -0.00195751] [-0.00091689 0.00094437 -0.00195751] [-0.00086756 0.00141257 0.00029558] [ 0.00086756 -0.00141257 0.00029558] [ 0.00086756 0.00141257 -0.00029558] [-0.00086756 -0.00141257 -0.00029558] [-0.00045953 0.00183314 0.00037911] [-0.00045953 -0.00183314 -0.00037911] [ 0.00045953 -0.00183314 0.00037911] [ 0.00045953 0.00183314 -0.00037911] [-0.00156722 0.00019666 -0.00077135] [ 0.00156722 0.00019666 0.00077135] [-0.00156722 -0.00019666 0.00077135] [ 0.00156722 -0.00019666 -0.00077135] [-0.00037353 -0.00027693 0.00096886] [ 0.00037353 0.00027693 0.00096886] [ 0.00037353 -0.00027693 -0.00096886] [-0.00037353 0.00027693 -0.00096886] [ 0.001965 -0.00090302 -0.00113974] [-0.001965 0.00090302 -0.00113974] [-0.001965 -0.00090302 0.00113974] [ 0.001965 0.00090302 0.00113974]] Final stress: [-2.56738962e-06 1.07063111e-05 -1.79281291e-05 -2.95578978e-14 3.74998878e-14 7.91015947e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-3.23008834e-05 -1.18242966e-04 -2.77435767e-04] [ 3.23008945e-05 1.18242976e-04 -2.77435777e-04] [ 3.23008858e-05 -1.18242970e-04 2.77435770e-04] [-3.23008900e-05 1.18242971e-04 2.77435772e-04] [ 3.18693504e-04 2.59944633e-04 -6.20074778e-04] [-3.18693513e-04 -2.59944643e-04 -6.20074779e-04] [-3.18693515e-04 2.59944653e-04 6.20074769e-04] [ 3.18693510e-04 -2.59944641e-04 6.20074785e-04] [ 3.12050070e-04 4.03306613e-05 -7.39334438e-04] [ 3.12050067e-04 -4.03306663e-05 7.39334431e-04] [-3.12050081e-04 -4.03306734e-05 -7.39334421e-04] [-3.12050082e-04 4.03306737e-05 7.39334427e-04] [-8.79287080e-05 1.75384189e-04 -2.27335477e-05] [ 8.79287011e-05 1.75384179e-04 2.27335465e-05] [-8.79286853e-05 -1.75384197e-04 2.27335345e-05] [ 8.79286791e-05 -1.75384199e-04 -2.27335310e-05] [ 6.25911514e-04 9.62849097e-05 -5.04035670e-04] [-6.25911519e-04 -9.62849011e-05 -5.04035675e-04] [-6.25911499e-04 9.62849197e-05 5.04035670e-04] [ 6.25911529e-04 -9.62849120e-05 5.04035679e-04] [ 5.68560850e-04 3.32660916e-05 -2.54961955e-04] [-5.68560830e-04 -3.32661078e-05 -2.54961934e-04] [-5.68560842e-04 3.32661023e-05 2.54961954e-04] [ 5.68560845e-04 -3.32660827e-05 2.54961933e-04]] Final stress: [-1.51896705e-05 -1.87768510e-05 -1.90075584e-05 4.39490672e-15 2.61171828e-14 1.03350206e-14] Minimization converged after 96 steps. Minimization converged after 95 steps. Minimization converged after 88 steps. Minimization converged after 79 steps. Minimization converged after 105 steps. Minimization converged after 98 steps. Minimization converged after 90 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-2.88840187e-03 -3.87814344e-03 -1.46687712e-03] [-3.22883519e-03 3.35156031e-03 8.25218087e-03] [ 2.88840186e-03 -3.87814342e-03 1.46687710e-03] [ 3.22883518e-03 3.35156032e-03 -8.25218086e-03] [-1.80492527e-03 1.13461788e-03 6.66374560e-04] [ 6.60379703e-03 -4.24875190e-03 2.86448480e-03] [ 1.80492525e-03 1.13461790e-03 -6.66374589e-04] [-6.60379704e-03 -4.24875188e-03 -2.86448477e-03] [ 3.33445030e-04 4.70534648e-03 2.50831506e-03] [ 3.33674999e-04 1.08579993e-03 4.62117356e-03] [-3.33675001e-04 1.08579994e-03 -4.62117358e-03] [-3.33445012e-04 4.70534645e-03 -2.50831501e-03] [-5.35891075e-03 2.88118817e-03 -4.48372375e-03] [ 5.35891074e-03 2.88118818e-03 4.48372375e-03] [ 4.34854193e-05 3.93088281e-03 -4.37049753e-03] [-4.34854099e-05 3.93088280e-03 4.37049752e-03] [ 5.92694941e-03 2.78626873e-04 -4.38963126e-04] [-3.02653182e-03 -4.53942126e-04 4.80247043e-03] [-5.92694940e-03 2.78626891e-04 4.38963173e-04] [ 3.02653182e-03 -4.53942107e-04 -4.80247047e-03] [ 4.48112162e-03 -4.25519121e-03 2.42695901e-03] [ 5.21278220e-03 -4.53199379e-03 -1.23718904e-03] [-4.48112161e-03 -4.25519124e-03 -2.42695905e-03] [-5.21278218e-03 -4.53199380e-03 1.23718906e-03]] Final stress: [-9.27007261e-05 7.15789432e-05 -8.47709227e-05 -8.25925188e-14 2.24624373e-04 -9.43880306e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.87031851e-03 2.81758060e-03 -2.36202901e-03] [-1.87031851e-03 -2.81758060e-03 -2.36202902e-03] [ 2.78835809e-03 1.07407052e-03 2.04620220e-03] [-2.78835809e-03 -1.07407052e-03 2.04620219e-03] [ 4.72951619e-03 -7.18972243e-05 -1.72346050e-03] [-4.72951619e-03 7.18972239e-05 -1.72346050e-03] [-2.42222902e-04 -2.93486729e-03 -7.19095460e-04] [ 2.42222900e-04 2.93486729e-03 -7.19095467e-04] [ 1.49425859e-04 -2.10937463e-03 1.73150363e-03] [-5.39435788e-06 -7.06118196e-04 4.76309721e-04] [-1.49425869e-04 2.10937462e-03 1.73150364e-03] [ 5.39434017e-06 7.06118216e-04 4.76309691e-04] [-6.21669850e-04 9.33050171e-04 -1.12143919e-03] [-2.51248930e-03 -1.65421493e-05 -1.23370551e-03] [ 2.51248929e-03 1.65421475e-05 -1.23370550e-03] [ 6.21669857e-04 -9.33050155e-04 -1.12143920e-03] [-3.96294908e-04 -1.42013220e-03 -1.54519643e-03] [ 3.96294918e-04 1.42013220e-03 -1.54519641e-03] [ 3.42576413e-03 1.80953649e-04 7.96531201e-04] [-3.42576412e-03 -1.80953664e-04 7.96531218e-04] [-5.70463406e-05 -1.33163679e-03 1.96362220e-03] [ 5.70463389e-05 1.33163676e-03 1.96362218e-03] [-1.08368196e-03 1.80822629e-03 1.69075716e-03] [ 1.08368197e-03 -1.80822627e-03 1.69075717e-03]] Final stress: [ 7.10803425e-05 -1.53294827e-05 7.25361885e-05 2.61248154e-14 -1.89153646e-15 -1.12348353e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-2.78833054e-03 1.07439590e-03 -2.04581329e-03] [ 2.78833055e-03 -1.07439589e-03 -2.04581330e-03] [-1.87044727e-03 2.81746084e-03 2.36243140e-03] [ 1.87044727e-03 -2.81746084e-03 2.36243140e-03] [ 2.41550325e-04 -2.93549278e-03 7.19389573e-04] [-2.41550322e-04 2.93549279e-03 7.19389566e-04] [-4.72975952e-03 -7.18439137e-05 1.72298281e-03] [ 4.72975953e-03 7.18439066e-05 1.72298281e-03] [-5.05947362e-06 7.05891864e-04 -4.76317871e-04] [ 1.49817343e-04 2.10958925e-03 -1.73155674e-03] [ 5.05947818e-06 -7.05891862e-04 -4.76317870e-04] [-1.49817349e-04 -2.10958925e-03 -1.73155674e-03] [ 2.51248543e-03 -1.60145456e-05 1.23322331e-03] [ 6.22228309e-04 9.33006243e-04 1.12183404e-03] [-6.22228294e-04 -9.33006247e-04 1.12183403e-03] [-2.51248545e-03 1.60145330e-05 1.23322333e-03] [-3.42592411e-03 1.80925860e-04 -7.96713087e-04] [ 3.42592409e-03 -1.80925854e-04 -7.96713090e-04] [ 3.96766732e-04 -1.41985506e-03 1.54492425e-03] [-3.96766716e-04 1.41985507e-03 1.54492426e-03] [ 1.08364063e-03 1.80861231e-03 -1.69091078e-03] [-1.08364062e-03 -1.80861231e-03 -1.69091076e-03] [ 5.62449018e-05 -1.33149213e-03 -1.96347362e-03] [-5.62449138e-05 1.33149212e-03 -1.96347363e-03]] Final stress: [ 7.10992943e-05 -1.53231204e-05 7.25554072e-05 5.68853178e-15 1.64514387e-14 1.12366945e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.42091655e-02 8.96764120e-04 1.10449962e-02] [-1.42091655e-02 -8.96764125e-04 1.10449962e-02] [ 1.20746661e-02 -1.62000951e-02 -1.75535274e-03] [-1.20746661e-02 1.62000951e-02 -1.75535275e-03] [-5.88994806e-03 7.02528113e-03 -1.22128997e-03] [ 5.88994810e-03 -7.02528106e-03 -1.22129000e-03] [ 1.87514866e-02 -8.79671592e-05 -1.21743737e-02] [-1.87514865e-02 8.79671457e-05 -1.21743737e-02] [ 7.54316033e-03 -1.06012727e-03 -1.38021609e-03] [-1.22929031e-04 -8.45873497e-03 8.68009113e-03] [-7.54316036e-03 1.06012725e-03 -1.38021606e-03] [ 1.22929077e-04 8.45873495e-03 8.68009116e-03] [-1.06523366e-02 7.41511753e-04 -6.66579076e-03] [-1.98599799e-04 3.98801350e-03 -5.73079984e-03] [ 1.98599740e-04 -3.98801345e-03 -5.73079980e-03] [ 1.06523366e-02 -7.41511724e-04 -6.66579080e-03] [ 1.49919848e-02 -2.91470801e-03 2.23524162e-04] [-1.49919847e-02 2.91470799e-03 2.23524204e-04] [ 9.24950262e-04 4.62242632e-03 -4.92371571e-03] [-9.24950339e-04 -4.62242636e-03 -4.92371570e-03] [-2.50710611e-03 -6.72970612e-03 9.79540536e-03] [ 2.50710602e-03 6.72970615e-03 9.79540534e-03] [-9.25400258e-03 1.22355241e-02 4.10752191e-03] [ 9.25400258e-03 -1.22355241e-02 4.10752192e-03]] Final stress: [-2.79749123e-05 3.38371723e-04 -2.17099760e-05 -1.58533195e-14 -9.88553910e-14 -4.44845819e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-1.13416351e-02 -1.53547782e-02 1.96475262e-03] [ 1.13416351e-02 1.53547782e-02 1.96475264e-03] [-1.32290617e-02 1.00283949e-03 -1.03433502e-02] [ 1.32290617e-02 -1.00283951e-03 -1.03433502e-02] [-1.79320924e-02 -1.52927409e-04 1.13462740e-02] [ 1.79320924e-02 1.52927417e-04 1.13462740e-02] [ 5.21118656e-03 6.94174060e-03 1.01214821e-03] [-5.21118659e-03 -6.94174055e-03 1.01214823e-03] [-4.98636685e-04 8.02448313e-03 -7.93991213e-03] [ 7.07243414e-03 1.10273618e-03 9.37640785e-04] [ 4.98636673e-04 -8.02448311e-03 -7.93991215e-03] [-7.07243409e-03 -1.10273621e-03 9.37640827e-04] [ 3.69634932e-05 3.43468092e-03 5.58871830e-03] [ 1.03863223e-02 8.48734159e-04 6.51907943e-03] [-1.03863224e-02 -8.48734125e-04 6.51907944e-03] [-3.69634572e-05 -3.43468090e-03 5.58871828e-03] [-5.54431397e-04 4.74512311e-03 5.00668388e-03] [ 5.54431431e-04 -4.74512316e-03 5.00668385e-03] [-1.40199651e-02 -2.83560892e-03 -4.06791803e-04] [ 1.40199650e-02 2.83560893e-03 -4.06791832e-04] [ 8.39116057e-03 1.14839886e-02 -4.54816514e-03] [-8.39116056e-03 -1.14839886e-02 -4.54816515e-03] [ 2.39441544e-03 -6.44832390e-03 -9.13707800e-03] [-2.39441540e-03 6.44832387e-03 -9.13707798e-03]] Final stress: [-3.78878341e-05 3.03921232e-04 -2.90802353e-05 1.27411180e-14 -5.32103553e-14 4.15901504e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.03605487 0.03069556 0.01924549] [-0.03605487 -0.03069556 0.01924549] [-0.03605487 0.03069556 -0.01924549] [ 0.03605487 -0.03069556 -0.01924549] [-0.03998453 -0.01892355 0.04907086] [ 0.03998453 0.01892355 0.04907086] [ 0.03998453 -0.01892355 -0.04907086] [-0.03998453 0.01892355 -0.04907086] [ 0.03797857 -0.01184718 0.03433616] [ 0.03797857 0.01184718 -0.03433616] [-0.03797857 0.01184718 0.03433616] [-0.03797857 -0.01184718 -0.03433617] [ 0.06532816 -0.05236077 -0.00485255] [-0.06532816 -0.05236077 0.00485255] [ 0.06532816 0.05236077 0.00485255] [-0.06532816 0.05236077 -0.00485255] [-0.01301588 -0.08731335 0.03868093] [ 0.01301587 0.08731335 0.03868093] [ 0.01301588 -0.08731335 -0.03868093] [-0.01301587 0.08731335 -0.03868092] [-0.00908427 -0.05015757 0.04377977] [ 0.00908427 0.05015757 0.04377977] [ 0.00908427 -0.05015756 -0.04377977] [-0.00908428 0.05015757 -0.04377977]] Final stress: [ 5.01437780e-04 2.26731217e-04 -3.45172874e-04 1.30708496e-12 3.56880825e-12 -2.72262234e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-0.00053388 -0.00064536 -0.00011209] [ 0.00053388 0.00064536 -0.00011209] [ 0.00053388 -0.00064536 0.00011209] [-0.00053388 0.00064536 0.00011209] [ 0.00152798 0.00045553 -0.00065384] [-0.00152798 -0.00045553 -0.00065384] [-0.00152798 0.00045553 0.00065384] [ 0.00152798 -0.00045553 0.00065384] [-0.00029064 0.0004021 -0.00040422] [-0.00029064 -0.0004021 0.00040422] [ 0.00029064 -0.0004021 -0.00040422] [ 0.00029064 0.0004021 0.00040422] [-0.00155076 0.00088369 0.00026693] [ 0.00155076 0.00088369 -0.00026693] [-0.00155076 -0.00088369 -0.00026693] [ 0.00155076 -0.00088369 0.00026693] [ 0.0001962 0.00162222 -0.00121987] [-0.0001962 -0.00162222 -0.00121987] [-0.0001962 0.00162222 0.00121987] [ 0.0001962 -0.00162222 0.00121987] [ 0.00036722 0.00103171 -0.00058351] [-0.00036722 -0.00103171 -0.00058351] [-0.00036722 0.00103171 0.00058351] [ 0.00036722 -0.00103171 0.00058351]] Final stress: [-5.27513816e-06 -7.20463798e-06 -1.42209512e-05 -4.21630900e-16 2.96707949e-14 2.50772715e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-2.36272409e-03 1.87006640e-03 2.81723876e-03] [ 2.04500639e-03 2.78769431e-03 1.07517640e-03] [ 2.04500639e-03 -2.78769431e-03 -1.07517641e-03] [-2.36272410e-03 -1.87006639e-03 -2.81723875e-03] [-1.12251599e-03 -6.23728656e-04 9.34146483e-04] [-1.23291549e-03 -2.51185365e-03 -1.52985795e-05] [-1.23291549e-03 2.51185367e-03 1.52985592e-05] [-1.12251598e-03 6.23728644e-04 -9.34146486e-04] [-1.72265868e-03 4.72918953e-03 -7.26189276e-05] [-1.72265870e-03 -4.72918952e-03 7.26189312e-05] [-7.21171419e-04 -2.40568362e-04 -2.93633437e-03] [-7.21171414e-04 2.40568360e-04 2.93633437e-03] [ 1.73103358e-03 1.51080925e-04 -2.11008376e-03] [ 4.77162675e-04 -4.76791433e-06 -7.05594528e-04] [ 1.73103361e-03 -1.51080943e-04 2.11008374e-03] [ 4.77162653e-04 4.76790038e-06 7.05594543e-04] [-1.54421026e-03 -3.96426140e-04 -1.41968918e-03] [ 7.97529101e-04 3.42703998e-03 1.81181920e-04] [ 7.97529127e-04 -3.42703997e-03 -1.81181922e-04] [-1.54421025e-03 3.96426141e-04 1.41968920e-03] [ 1.96449085e-03 -5.50409018e-05 -1.33076143e-03] [ 1.69097333e-03 -1.08387717e-03 1.80963020e-03] [ 1.69097330e-03 1.08387716e-03 -1.80963018e-03] [ 1.96449084e-03 5.50409108e-05 1.33076141e-03]] Final stress: [ 7.25999216e-05 7.11435854e-05 -1.52862831e-05 -1.12374475e-04 4.94883240e-14 6.87767932e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-2.04553705e-03 -2.78627998e-03 1.07476270e-03] [ 2.36133042e-03 -1.86828440e-03 2.81715711e-03] [ 2.36133042e-03 1.86828440e-03 -2.81715710e-03] [-2.04553705e-03 2.78627997e-03 -1.07476270e-03] [ 1.23526710e-03 2.51019178e-03 -1.46720647e-05] [ 1.12168452e-03 6.23304389e-04 9.37016211e-04] [ 1.12168453e-03 -6.23304402e-04 -9.37016203e-04] [ 1.23526708e-03 -2.51019176e-03 1.46720734e-05] [ 7.23072596e-04 2.39407977e-04 -2.93877891e-03] [ 7.23072608e-04 -2.39407979e-04 2.93877891e-03] [ 1.72277286e-03 -4.72891913e-03 -7.25327137e-05] [ 1.72277286e-03 4.72891912e-03 7.25327207e-05] [-4.80956066e-04 -4.38464034e-06 7.05149441e-04] [-1.73010257e-03 1.52046728e-04 2.10902555e-03] [-4.80956073e-04 4.38463741e-06 -7.05149439e-04] [-1.73010257e-03 -1.52046721e-04 -2.10902555e-03] [-7.98976971e-04 -3.42897497e-03 1.78941516e-04] [ 1.54551487e-03 3.96339573e-04 -1.41926887e-03] [ 1.54551485e-03 -3.96339586e-04 1.41926886e-03] [-7.98976976e-04 3.42897498e-03 -1.78941523e-04] [-1.68867686e-03 1.08211284e-03 1.81197124e-03] [-1.96539284e-03 5.26188672e-05 -1.33213529e-03] [-1.96539282e-03 -5.26188537e-05 1.33213529e-03] [-1.68867687e-03 -1.08211285e-03 -1.81197124e-03]] Final stress: [ 7.26666697e-05 7.12109686e-05 -1.51610429e-05 1.12302598e-04 -1.08469585e-14 -2.32534333e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.00925454 0.01190244 0.00066524] [-0.00225727 0.01003672 -0.01356497] [-0.00225727 -0.01003672 0.01356497] [ 0.00925454 -0.01190244 -0.00066524] [-0.00584191 -0.00942378 0.0007062 ] [-0.00509029 -0.00015044 0.00264046] [-0.00509029 0.00015044 -0.00264046] [-0.00584191 0.00942378 -0.0007062 ] [-0.0010718 -0.00438804 0.00666001] [-0.0010718 0.00438804 -0.00666001] [-0.010071 0.01629911 -0.00018025] [-0.010071 -0.01629911 0.00018025] [-0.00065681 0.0060854 -0.00102446] [ 0.00712422 -0.0005638 -0.00726842] [-0.00065681 -0.0060854 0.00102446] [ 0.00712422 0.0005638 0.00726842] [ 0.00061504 0.01282381 -0.00240253] [-0.00464773 0.00038132 0.00441416] [-0.00464773 -0.00038132 -0.00441416] [ 0.00061504 -0.01282381 0.00240253] [ 0.00818707 -0.00206643 -0.00586023] [ 0.00445595 -0.00701021 0.01012937] [ 0.00445595 0.00701021 -0.01012937] [ 0.00818707 0.00206643 0.00586023]] Final stress: [-4.30110060e-05 -5.39361428e-05 2.55469398e-04 -3.82034180e-04 1.16895568e-13 5.84750270e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.97782719e-03 -3.44712583e-03 -4.94412655e-03] [-3.66442916e-03 -4.55817414e-03 -5.82570910e-04] [-3.66442916e-03 4.55817414e-03 5.82570911e-04] [ 1.97782719e-03 3.44712583e-03 4.94412656e-03] [ 1.99719210e-03 4.13007010e-04 3.62749973e-06] [ 2.01418848e-03 3.66984556e-03 1.59642842e-04] [ 2.01418847e-03 -3.66984556e-03 -1.59642856e-04] [ 1.99719210e-03 -4.13007004e-04 -3.62749597e-06] [ 3.65207335e-03 -6.77607487e-03 -2.17011511e-04] [ 3.65207336e-03 6.77607487e-03 2.17011506e-04] [ 8.90556611e-04 1.06505097e-03 3.54687108e-03] [ 8.90556621e-04 -1.06505098e-03 -3.54687106e-03] [-2.95780880e-03 -2.26563828e-04 2.98032596e-03] [-7.20930175e-05 1.61168180e-03 5.12988652e-04] [-2.95780880e-03 2.26563819e-04 -2.98032596e-03] [-7.20930013e-05 -1.61168178e-03 -5.12988658e-04] [ 2.22961560e-03 -2.96657776e-05 1.89253395e-03] [-6.43492041e-04 -5.62750229e-03 -4.87947459e-04] [-6.43492064e-04 5.62750227e-03 4.87947464e-04] [ 2.22961559e-03 2.96657837e-05 -1.89253394e-03] [-2.46936650e-03 1.42036479e-03 3.35376965e-03] [-2.95426380e-03 1.01000725e-03 -2.83908245e-03] [-2.95426380e-03 -1.01000725e-03 2.83908246e-03] [-2.46936649e-03 -1.42036479e-03 -3.35376967e-03]] Final stress: [-5.53627565e-05 -5.79311833e-05 6.69572932e-05 1.60109827e-04 7.11968003e-15 -3.68848192e-14] Minimization converged after 98 steps. Minimization converged after 95 steps. Minimization converged after 84 steps. Minimization converged after 84 steps. Minimization converged after 98 steps. Minimization converged after 95 steps. Minimization converged after 92 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00117282 -0.00279039 -0.00371809] [ 0.00117282 0.00279039 -0.00371809] [-0.00826152 0.00334466 0.00322377] [ 0.00826152 -0.00334466 0.00322377] [-0.00451138 -0.00544901 0.00325847] [ 0.00451138 0.00544901 0.00325847] [-0.00423351 -0.00015839 0.00417633] [ 0.00423351 0.00015839 0.00417633] [ 0.00077335 -0.00201205 0.00104925] [ 0.00300174 0.00662702 -0.00422726] [-0.00077335 0.00201205 0.00104925] [-0.00300174 -0.00662703 -0.00422726] [ 0.00244118 0.00058739 0.00483176] [ 0.00448553 0.000264 0.00127058] [-0.00448553 -0.000264 0.00127058] [-0.00244118 -0.00058739 0.00483176] [-0.0003964 0.00573825 0.00014947] [ 0.0003964 -0.00573825 0.00014947] [-0.0049797 0.00324398 -0.00075612] [ 0.0049797 -0.00324398 -0.00075612] [ 0.00209402 0.0045138 -0.00452555] [-0.00209402 -0.0045138 -0.00452555] [ 0.00132803 -0.00519592 -0.00473262] [-0.00132803 0.00519592 -0.00473261]] Final stress: [-8.23377376e-05 -8.99760135e-05 7.11282002e-05 -1.28393232e-13 -6.64164931e-14 2.20010656e-04] Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00065171 0.00105723 0.00096052] [-0.00065171 -0.00105723 0.00096052] [-0.00065171 0.00105723 -0.00096052] [ 0.00065171 -0.00105723 -0.00096052] [-0.00016648 0.00238458 -0.00185003] [ 0.00016648 -0.00238458 -0.00185003] [ 0.00016648 0.00238458 0.00185003] [-0.00016648 -0.00238458 0.00185003] [ 0.0015367 -0.0015363 -0.00057671] [ 0.0015367 0.0015363 0.00057671] [-0.0015367 0.0015363 -0.00057671] [-0.0015367 -0.0015363 0.00057671] [ 0.00117389 0.0007341 -0.00044383] [-0.00117389 0.0007341 0.00044383] [ 0.00117389 -0.0007341 0.00044383] [-0.00117389 -0.0007341 -0.00044383] [ 0.00159599 -0.00024163 -0.00268223] [-0.00159599 0.00024163 -0.00268223] [-0.00159599 -0.00024163 0.00268223] [ 0.00159599 0.00024163 0.00268223] [ 0.00124411 -0.00056149 -0.00186239] [-0.00124411 0.00056149 -0.00186239] [-0.00124411 -0.00056149 0.00186239] [ 0.00124411 0.00056149 0.00186239]] Final stress: [-9.33987954e-06 1.76572355e-06 -4.43846601e-07 -7.86203872e-14 3.61609641e-14 2.61477596e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-1.99317801e-03 -3.90485376e-03 -3.54952608e-03] [ 1.99317829e-03 3.90485399e-03 -3.54952635e-03] [ 1.99317795e-03 -3.90485372e-03 3.54952608e-03] [-1.99317808e-03 3.90485376e-03 3.54952614e-03] [ 3.28874290e-05 -9.34999867e-03 7.03385209e-03] [-3.28877763e-05 9.34999820e-03 7.03385219e-03] [-3.28873300e-05 -9.34999877e-03 -7.03385195e-03] [ 3.28873931e-05 9.34999876e-03 -7.03385195e-03] [-5.05355661e-03 6.37799573e-03 3.22606226e-03] [-5.05355696e-03 -6.37799541e-03 -3.22606183e-03] [ 5.05355693e-03 -6.37799559e-03 3.22606204e-03] [ 5.05355593e-03 6.37799610e-03 -3.22606285e-03] [-3.25379829e-03 -1.57598880e-03 2.23501134e-03] [ 3.25379818e-03 -1.57598881e-03 -2.23501144e-03] [-3.25379769e-03 1.57598852e-03 -2.23501171e-03] [ 3.25379727e-03 1.57598850e-03 2.23501192e-03] [-6.87313723e-03 1.80235253e-03 9.84777417e-03] [ 6.87313655e-03 -1.80235246e-03 9.84777409e-03] [ 6.87313739e-03 1.80235237e-03 -9.84777447e-03] [-6.87313596e-03 -1.80235224e-03 -9.84777387e-03] [-3.35262418e-03 2.11273243e-03 7.84712063e-03] [ 3.35262496e-03 -2.11273295e-03 7.84712052e-03] [ 3.35262497e-03 2.11273301e-03 -7.84712045e-03] [-3.35262513e-03 -2.11273272e-03 -7.84712053e-03]] Final stress: [ 1.11979723e-04 2.47873371e-05 1.54905608e-05 1.69059215e-13 1.53891979e-12 -5.36197837e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 5.61847821e-05 3.56738501e-04 -2.89149902e-05] [-5.61847751e-05 -3.56738494e-04 -2.89149950e-05] [-5.61847813e-05 3.56738499e-04 2.89149897e-05] [ 5.61847689e-05 -3.56738488e-04 2.89150014e-05] [-6.21859015e-05 1.34866999e-03 -3.80026945e-04] [ 6.21858939e-05 -1.34867000e-03 -3.80026942e-04] [ 6.21858949e-05 1.34867000e-03 3.80026941e-04] [-6.21859048e-05 -1.34866998e-03 3.80026955e-04] [-3.18044376e-04 7.73191167e-06 1.36322963e-04] [-3.18044381e-04 -7.73191065e-06 -1.36322964e-04] [ 3.18044380e-04 -7.73190705e-06 1.36322961e-04] [ 3.18044381e-04 7.73191334e-06 -1.36322967e-04] [-4.44868414e-04 8.97977540e-04 -6.29028041e-04] [ 4.44868444e-04 8.97977522e-04 6.29028058e-04] [-4.44868413e-04 -8.97977535e-04 6.29028039e-04] [ 4.44868430e-04 -8.97977524e-04 -6.29028051e-04] [-1.06939311e-04 7.60818574e-04 -9.20111558e-04] [ 1.06939295e-04 -7.60818582e-04 -9.20111576e-04] [ 1.06939311e-04 7.60818577e-04 9.20111564e-04] [-1.06939307e-04 -7.60818584e-04 9.20111554e-04] [ 3.32743221e-05 3.89943140e-04 -8.81841666e-04] [-3.32743308e-05 -3.89943167e-04 -8.81841671e-04] [-3.32743278e-05 3.89943164e-04 8.81841680e-04] [ 3.32743202e-05 -3.89943161e-04 8.81841659e-04]] Final stress: [5.97752464e-06 5.77985028e-06 1.69115835e-05 2.68382071e-15 1.23607872e-14 1.00738409e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.00161336 -0.00320309 0.00151469] [-0.00161336 0.00320309 0.00151469] [-0.00161336 -0.00320309 -0.00151469] [ 0.00161336 0.00320309 -0.00151469] [-0.00274203 -0.00034292 0.00078781] [ 0.00274203 0.00034292 0.00078781] [ 0.00274203 -0.00034292 -0.00078781] [-0.00274203 0.00034292 -0.00078781] [-0.00072196 0.00151813 0.00294179] [-0.00072196 -0.00151813 -0.00294179] [ 0.00072196 -0.00151813 0.00294179] [ 0.00072196 0.00151813 -0.00294179] [-0.00215814 -0.00064906 0.00145698] [ 0.00215814 -0.00064906 -0.00145698] [-0.00215814 0.00064906 -0.00145698] [ 0.00215814 0.00064906 0.00145698] [ 0.00038965 -0.00133809 0.00106795] [-0.00038965 0.00133809 0.00106795] [-0.00038965 -0.00133809 -0.00106795] [ 0.00038965 0.00133809 -0.00106795] [ 0.00118066 0.00199602 -0.00324284] [-0.00118066 -0.00199602 -0.00324284] [-0.00118066 0.00199602 0.00324284] [ 0.00118066 -0.00199602 0.00324284]] Final stress: [-4.71633367e-05 2.57261650e-05 -1.04368147e-05 -1.13273706e-15 -9.48302893e-16 1.87979723e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00162982 0.00309275 -0.0015379 ] [ 0.00162982 -0.00309275 -0.0015379 ] [ 0.00162982 0.00309275 0.0015379 ] [-0.00162982 -0.00309275 0.0015379 ] [ 0.00285205 0.00062081 -0.00113597] [-0.00285205 -0.00062081 -0.00113597] [-0.00285205 0.00062081 0.00113597] [ 0.00285205 -0.00062081 0.00113597] [ 0.00029764 -0.00132179 -0.00259564] [ 0.00029764 0.00132179 0.00259564] [-0.00029764 0.00132179 -0.00259564] [-0.00029764 -0.00132179 0.00259564] [ 0.00240885 0.00026362 -0.00130113] [-0.00240885 0.00026362 0.00130113] [ 0.00240885 -0.00026362 0.00130113] [-0.00240885 -0.00026362 -0.00130113] [-0.00031737 0.00139413 -0.00095875] [ 0.00031737 -0.00139413 -0.00095875] [ 0.00031737 0.00139413 0.00095875] [-0.00031737 -0.00139413 0.00095875] [-0.00120029 -0.00201737 0.00315123] [ 0.00120029 0.00201737 0.00315123] [ 0.00120029 -0.00201737 -0.00315123] [-0.00120029 0.00201737 -0.00315123]] Final stress: [ 2.47732329e-05 -4.58589926e-05 -1.02991496e-05 1.21618238e-14 8.52742180e-16 -4.55868192e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-6.37020738e-05 -3.79244997e-04 1.04721978e-05] [ 6.37020675e-05 3.79244997e-04 1.04722027e-05] [ 6.37020648e-05 -3.79244988e-04 -1.04722031e-05] [-6.37020648e-05 3.79244985e-04 -1.04722101e-05] [ 1.38706497e-04 -1.38214604e-03 4.75119474e-04] [-1.38706511e-04 1.38214602e-03 4.75119497e-04] [-1.38706494e-04 -1.38214604e-03 -4.75119442e-04] [ 1.38706505e-04 1.38214603e-03 -4.75119480e-04] [ 3.41343511e-04 2.44847893e-05 -1.43398858e-04] [ 3.41343504e-04 -2.44847780e-05 1.43398880e-04] [-3.41343527e-04 -2.44848064e-05 -1.43398838e-04] [-3.41343500e-04 2.44847778e-05 1.43398878e-04] [ 4.94584788e-04 -1.04796689e-03 7.16391935e-04] [-4.94584747e-04 -1.04796693e-03 -7.16391904e-04] [ 4.94584768e-04 1.04796689e-03 -7.16391910e-04] [-4.94584758e-04 1.04796692e-03 7.16391911e-04] [ 1.32941904e-04 -9.50699673e-04 1.05509368e-03] [-1.32941911e-04 9.50699730e-04 1.05509372e-03] [-1.32941894e-04 -9.50699717e-04 -1.05509372e-03] [ 1.32941884e-04 9.50699717e-04 -1.05509375e-03] [-4.89417907e-05 -4.08724725e-04 9.92994281e-04] [ 4.89417743e-05 4.08724703e-04 9.92994246e-04] [ 4.89417926e-05 -4.08724720e-04 -9.92994289e-04] [-4.89417895e-05 4.08724751e-04 -9.92994288e-04]] Final stress: [-5.32894338e-06 -5.56776660e-06 -1.72971287e-05 6.10348503e-14 -1.08775912e-13 7.10631575e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 3.51965101e-04 -3.29078766e-05 5.36227056e-05] [-3.51965086e-04 3.29078893e-05 5.36226935e-05] [-3.51965092e-04 -3.29078839e-05 -5.36226982e-05] [ 3.51965095e-04 3.29078810e-05 -5.36227031e-05] [ 6.87703781e-06 1.33338866e-04 -3.16443495e-04] [-6.87702636e-06 -1.33338850e-04 -3.16443509e-04] [-6.87703060e-06 1.33338854e-04 3.16443500e-04] [ 6.87703275e-06 -1.33338854e-04 3.16443502e-04] [ 8.80963786e-04 -6.22696501e-04 -4.42009663e-04] [ 8.80963786e-04 6.22696497e-04 4.42009660e-04] [-8.80963778e-04 6.22696504e-04 -4.42009664e-04] [-8.80963770e-04 -6.22696504e-04 4.42009663e-04] [ 1.33246694e-03 -3.72371614e-04 -6.34901211e-05] [-1.33246693e-03 -3.72371611e-04 6.34901223e-05] [ 1.33246696e-03 3.72371601e-04 6.34901082e-05] [-1.33246694e-03 3.72371605e-04 -6.34901200e-05] [ 7.47393981e-04 -9.01270650e-04 -1.07194887e-04] [-7.47394006e-04 9.01270645e-04 -1.07194889e-04] [-7.47394001e-04 -9.01270649e-04 1.07194890e-04] [ 7.47393983e-04 9.01270653e-04 1.07194901e-04] [ 3.76706030e-04 -8.69646946e-04 3.73924136e-05] [-3.76706044e-04 8.69646953e-04 3.73924192e-05] [-3.76706060e-04 -8.69646947e-04 -3.73924086e-05] [ 3.76706034e-04 8.69646940e-04 -3.73924205e-05]] Final stress: [ 5.84226288e-06 1.68194394e-05 6.03447838e-06 1.46123873e-14 2.89381349e-14 -2.70283265e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.0030971 -0.00153997 -0.00163229] [-0.0030971 0.00153997 -0.00163229] [-0.0030971 -0.00153997 0.00163229] [ 0.0030971 0.00153997 0.00163229] [-0.00132391 -0.00259962 0.00029842] [ 0.00132391 0.00259962 0.00029842] [ 0.00132391 -0.00259962 -0.00029842] [-0.00132391 0.00259962 -0.00029842] [ 0.00026382 -0.00130244 0.00241244] [ 0.00026382 0.00130244 -0.00241244] [-0.00026382 0.00130244 0.00241244] [-0.00026382 -0.00130244 -0.00241244] [ 0.0006219 -0.00113784 0.00285582] [-0.0006219 -0.00113784 -0.00285582] [ 0.0006219 0.00113784 -0.00285582] [-0.0006219 0.00113784 0.00285582] [ 0.00139574 -0.00096044 -0.00031746] [-0.00139574 0.00096044 -0.00031746] [-0.00139574 -0.00096044 0.00031746] [ 0.00139574 0.00096044 0.00031746] [-0.00202026 0.0031553 -0.0012014 ] [ 0.00202026 -0.0031553 -0.0012014 ] [ 0.00202026 0.0031553 0.0012014 ] [-0.00202026 -0.0031553 0.0012014 ]] Final stress: [-4.59306440e-05 -1.03127304e-05 2.48166415e-05 2.32486495e-17 -1.24202850e-14 5.15150989e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00320258 0.00151454 0.001613 ] [ 0.00320258 -0.00151454 0.001613 ] [ 0.00320258 0.00151454 -0.001613 ] [-0.00320258 -0.00151454 -0.001613 ] [ 0.00151787 0.00294149 -0.00072202] [-0.00151787 -0.00294149 -0.00072202] [-0.00151787 0.00294149 0.00072202] [ 0.00151787 -0.00294149 0.00072202] [-0.00064893 0.00145695 -0.00215796] [-0.00064893 -0.00145695 0.00215796] [ 0.00064893 -0.00145695 -0.00215796] [ 0.00064893 0.00145695 0.00215796] [-0.00034285 0.00078781 -0.00274176] [ 0.00034285 0.00078781 0.00274176] [-0.00034285 -0.00078781 0.00274176] [ 0.00034285 -0.00078781 -0.00274176] [-0.00133788 0.00106776 0.00038961] [ 0.00133788 -0.00106776 0.00038961] [ 0.00133788 0.00106776 -0.00038961] [-0.00133788 -0.00106776 -0.00038961] [ 0.00199573 -0.00324229 0.0011804 ] [-0.00199573 0.00324229 0.0011804 ] [-0.00199573 -0.00324229 -0.0011804 ] [ 0.00199573 0.00324229 -0.0011804 ]] Final stress: [ 2.57212216e-05 -1.04355522e-05 -4.71557541e-05 4.42828348e-15 1.06400597e-16 1.20024024e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-3.78529543e-04 1.10320426e-05 -6.32807455e-05] [ 3.78529531e-04 -1.10320581e-05 -6.32807321e-05] [ 3.78529547e-04 1.10320345e-05 6.32807478e-05] [-3.78529568e-04 -1.10320207e-05 6.32807666e-05] [ 2.45122307e-05 -1.43152663e-04 3.40960243e-04] [-2.45122396e-05 1.43152656e-04 3.40960214e-04] [-2.45122364e-05 -1.43152663e-04 -3.40960239e-04] [ 2.45122657e-05 1.43152616e-04 -3.40960260e-04] [-1.04616750e-03 7.15559900e-04 4.94200354e-04] [-1.04616753e-03 -7.15559908e-04 -4.94200360e-04] [ 1.04616751e-03 -7.15559900e-04 4.94200364e-04] [ 1.04616753e-03 7.15559885e-04 -4.94200338e-04] [-1.38027026e-03 4.74316023e-04 1.38760527e-04] [ 1.38027024e-03 4.74316043e-04 -1.38760537e-04] [-1.38027022e-03 -4.74316057e-04 -1.38760553e-04] [ 1.38027023e-03 -4.74316063e-04 1.38760545e-04] [-9.49199009e-04 1.05291300e-03 1.32739709e-04] [ 9.49198978e-04 -1.05291297e-03 1.32739712e-04] [ 9.49199016e-04 1.05291303e-03 -1.32739708e-04] [-9.49198988e-04 -1.05291299e-03 -1.32739692e-04] [-4.07581047e-04 9.91357099e-04 -4.93464950e-05] [ 4.07581046e-04 -9.91357036e-04 -4.93464834e-05] [ 4.07581007e-04 9.91357073e-04 4.93465041e-05] [-4.07581002e-04 -9.91357074e-04 4.93464583e-05]] Final stress: [-5.57703808e-06 -1.72838782e-05 -5.33884317e-06 1.49519837e-14 -3.91629945e-15 -4.78433993e-16] Minimization converged after 104 steps. Minimization converged after 102 steps. Minimization converged after 103 steps. Minimization converged after 102 steps. Minimization converged after 110 steps. Minimization converged after 108 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-0.00014868 0.01238474 0.01730875] [ 0.01337921 -0.00559088 -0.00812533] [ 0.00014868 0.01238474 -0.01730875] [-0.01337921 -0.00559088 0.00812533] [ 0.0001423 -0.00289454 0.01044306] [-0.00600025 0.01658799 0.00147085] [-0.0001423 -0.00289454 -0.01044306] [ 0.00600025 0.01658799 -0.00147085] [ 0.01261955 0.0076388 0.01439712] [ 0.00334544 0.00020953 0.00926599] [-0.00334544 0.00020953 -0.00926599] [-0.01261955 0.0076388 -0.01439712] [-0.00056436 -0.00306127 -0.01422014] [ 0.00056436 -0.00306127 0.01422013] [-0.00492247 -0.01154135 0.02389613] [ 0.00492247 -0.01154135 -0.02389613] [-0.00177031 -0.00394355 0.02325163] [-0.00943043 -0.00989331 -0.02136012] [ 0.00177031 -0.00394355 -0.02325163] [ 0.00943043 -0.00989331 0.02136012] [-0.00619515 -0.00116334 0.01696802] [-0.00632551 0.00126718 0.00754628] [ 0.00619515 -0.00116334 -0.01696802] [ 0.00632551 0.00126718 -0.00754628]] Final stress: [ 5.80472540e-04 2.56025303e-05 2.55952115e-05 4.83883489e-14 -4.95895305e-04 2.18042028e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-0.0133874 0.00564137 -0.00810111] [ 0.00021004 -0.01238623 0.01731716] [ 0.0133874 0.00564137 0.00810111] [-0.00021004 -0.01238623 -0.01731716] [ 0.00603781 -0.0166311 0.00163712] [-0.00013464 0.00289997 0.01044386] [-0.00603781 -0.0166311 -0.00163712] [ 0.00013464 0.00289997 -0.01044386] [ 0.00329522 -0.00022484 -0.00933438] [ 0.0126201 -0.00753592 -0.01434267] [-0.0126201 -0.00753592 0.01434267] [-0.00329522 -0.00022484 0.00933438] [-0.00498867 0.01155438 -0.02397186] [ 0.00498867 0.01155438 0.02397186] [-0.00048464 0.00289659 0.01425976] [ 0.00048464 0.00289659 -0.01425976] [ 0.00945569 0.00989869 -0.02143286] [ 0.00174931 0.00399282 0.02317061] [-0.00945569 0.00989869 0.02143286] [-0.00174931 0.00399282 -0.02317061] [ 0.0064214 -0.00128584 0.00771259] [ 0.00614805 0.00118012 0.01689537] [-0.0064214 -0.00128584 -0.00771259] [-0.00614805 0.00118012 -0.01689537]] Final stress: [ 5.82425262e-04 2.86918886e-05 2.87204205e-05 -3.94456340e-14 4.95843853e-04 1.79460017e-13] Minimization converged after 98 steps. Minimization converged after 101 steps. Minimization converged after 86 steps. Minimization converged after 84 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00095671 0.00064676 0.001053 ] [-0.00095671 -0.00064676 0.001053 ] [-0.00095671 0.00064676 -0.001053 ] [ 0.00095671 -0.00064676 -0.001053 ] [-0.00043713 0.00117484 0.000736 ] [ 0.00043713 -0.00117484 0.000736 ] [ 0.00043713 0.00117484 -0.000736 ] [-0.00043713 -0.00117484 -0.000736 ] [-0.00184304 -0.00016142 0.00238011] [-0.00184304 0.00016142 -0.00238011] [ 0.00184304 0.00016142 0.00238011] [ 0.00184304 -0.00016142 -0.00238011] [-0.0005804 0.00152909 -0.00153392] [ 0.0005804 0.00152909 0.00153392] [-0.0005804 -0.00152909 0.00153392] [ 0.0005804 -0.00152909 -0.00153392] [-0.00267172 0.0015954 -0.00023879] [ 0.00267172 -0.0015954 -0.00023879] [ 0.00267172 0.0015954 0.00023879] [-0.00267172 -0.0015954 0.00023879] [-0.00186732 0.001239 -0.00056395] [ 0.00186732 -0.001239 -0.00056395] [ 0.00186732 0.001239 0.00056395] [-0.00186732 -0.001239 0.00056395]] Final stress: [-3.08804748e-07 -9.27163492e-06 1.89514568e-06 6.28864712e-14 -6.20831360e-14 2.37071643e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-3.50149433e-03 -1.96566514e-03 -3.85030927e-03] [ 3.50149456e-03 1.96566531e-03 -3.85030950e-03] [ 3.50149419e-03 -1.96566499e-03 3.85030919e-03] [-3.50149438e-03 1.96566512e-03 3.85030935e-03] [ 2.20802076e-03 -3.20141620e-03 -1.55699273e-03] [-2.20802093e-03 3.20141600e-03 -1.55699290e-03] [-2.20802036e-03 -3.20141678e-03 1.55699312e-03] [ 2.20802040e-03 3.20141674e-03 1.55699334e-03] [ 6.93593339e-03 3.52211686e-05 -9.21953869e-03] [ 6.93593363e-03 -3.52212293e-05 9.21953849e-03] [-6.93593344e-03 -3.52213083e-05 -9.21953841e-03] [-6.93593405e-03 3.52213892e-05 9.21953830e-03] [ 3.17634240e-03 -4.98997404e-03 6.28910160e-03] [-3.17634244e-03 -4.98997390e-03 -6.28910167e-03] [ 3.17634296e-03 4.98997351e-03 -6.28910203e-03] [-3.17634323e-03 4.98997358e-03 6.28910213e-03] [ 9.71935666e-03 -6.78513461e-03 1.77394027e-03] [-9.71935703e-03 6.78513488e-03 1.77394017e-03] [-9.71935680e-03 -6.78513504e-03 -1.77394060e-03] [ 9.71935769e-03 6.78513536e-03 -1.77394021e-03] [ 7.73102947e-03 -3.30561714e-03 2.08657496e-03] [-7.73102900e-03 3.30561708e-03 2.08657543e-03] [-7.73102863e-03 -3.30561661e-03 -2.08657485e-03] [ 7.73102852e-03 3.30561685e-03 -2.08657548e-03]] Final stress: [ 1.50984730e-05 1.09918554e-04 2.42517300e-05 4.53928476e-14 8.93762625e-13 -1.07501801e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-3.04530068e-05 5.55118197e-05 3.55350828e-04] [ 3.04530025e-05 -5.55118250e-05 3.55350833e-04] [ 3.04530062e-05 5.55118196e-05 -3.55350831e-04] [-3.04530115e-05 -5.55118173e-05 -3.55350827e-04] [-6.26022167e-04 -4.43888525e-04 8.91817020e-04] [ 6.26022168e-04 4.43888533e-04 8.91817002e-04] [ 6.26022157e-04 -4.43888510e-04 -8.91817023e-04] [-6.26022165e-04 4.43888524e-04 -8.91817003e-04] [-3.77733192e-04 -6.28018687e-05 1.34197839e-03] [-3.77733200e-04 6.28018642e-05 -1.34197840e-03] [ 3.77733171e-04 6.28018513e-05 1.34197842e-03] [ 3.77733195e-04 -6.28018666e-05 -1.34197839e-03] [ 1.35225525e-04 -3.17140463e-04 8.06348809e-06] [-1.35225529e-04 -3.17140478e-04 -8.06348486e-06] [ 1.35225540e-04 3.17140459e-04 -8.06349786e-06] [-1.35225526e-04 3.17140463e-04 8.06348975e-06] [-9.12610132e-04 -1.07046764e-04 7.55434427e-04] [ 9.12610145e-04 1.07046784e-04 7.55434412e-04] [ 9.12610154e-04 -1.07046762e-04 -7.55434428e-04] [-9.12610141e-04 1.07046762e-04 -7.55434416e-04] [-8.76925209e-04 3.46322914e-05 3.84658438e-04] [ 8.76925211e-04 -3.46322985e-05 3.84658450e-04] [ 8.76925191e-04 3.46322867e-05 -3.84658433e-04] [-8.76925188e-04 -3.46322799e-05 -3.84658471e-04]] Final stress: [ 1.68659788e-05 6.00605173e-06 5.81049281e-06 4.86019971e-15 -8.26760706e-15 2.25144233e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.00151412 0.00161269 -0.00320178] [-0.00151412 -0.00161269 -0.00320178] [-0.00151412 0.00161269 0.00320178] [ 0.00151412 -0.00161269 0.00320178] [ 0.00145651 -0.00215728 -0.00064877] [-0.00145651 0.00215728 -0.00064877] [-0.00145651 -0.00215728 0.00064877] [ 0.00145651 0.00215728 0.00064877] [ 0.00078748 -0.00274097 -0.00034272] [ 0.00078748 0.00274097 0.00034272] [-0.00078748 0.00274097 -0.00034272] [-0.00078748 -0.00274097 0.00034272] [ 0.00294051 -0.00072165 0.00151744] [-0.00294051 -0.00072165 -0.00151744] [ 0.00294051 0.00072165 -0.00151744] [-0.00294051 0.00072165 0.00151744] [ 0.00106747 0.00038966 -0.00133755] [-0.00106747 -0.00038966 -0.00133755] [-0.00106747 0.00038966 0.00133755] [ 0.00106747 -0.00038966 0.00133755] [-0.00324152 0.0011802 0.00199513] [ 0.00324152 -0.0011802 0.00199513] [ 0.00324152 0.0011802 -0.00199513] [-0.00324152 -0.0011802 -0.00199513]] Final stress: [-1.04327945e-05 -4.71429220e-05 2.57140922e-05 2.53881699e-15 -7.27493732e-15 -7.77651208e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00153985 -0.00163167 0.00309628] [ 0.00153985 0.00163167 0.00309628] [ 0.00153985 -0.00163167 -0.00309628] [-0.00153985 0.00163167 -0.00309628] [-0.00130268 0.00241195 0.00026399] [ 0.00130268 -0.00241195 0.00026399] [ 0.00130268 0.00241195 -0.00026399] [-0.00130268 -0.00241195 -0.00026399] [-0.00113751 0.00285558 0.0006218 ] [-0.00113751 -0.00285558 -0.0006218 ] [ 0.00113751 -0.00285558 0.0006218 ] [ 0.00113751 0.00285558 -0.0006218 ] [-0.00259907 0.00029792 -0.00132345] [ 0.00259907 0.00029792 0.00132345] [-0.00259907 -0.00029792 0.00132345] [ 0.00259907 -0.00029792 -0.00132345] [-0.00096028 -0.00031767 0.00139568] [ 0.00096028 0.00031767 0.00139568] [ 0.00096028 -0.00031767 -0.00139568] [-0.00096028 0.00031767 -0.00139568] [ 0.00315545 -0.00120173 -0.0020201 ] [-0.00315545 0.00120173 -0.0020201 ] [-0.00315545 -0.00120173 0.0020201 ] [ 0.00315545 0.00120173 0.0020201 ]] Final stress: [-1.03113692e-05 2.48051746e-05 -4.59160176e-05 1.04883240e-14 1.55365257e-14 4.22738362e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.79945163e-05 -6.18578470e-05 -3.69042781e-04] [-1.79945192e-05 6.18578424e-05 -3.69042776e-04] [-1.79945227e-05 -6.18578409e-05 3.69042772e-04] [ 1.79945194e-05 6.18578438e-05 3.69042775e-04] [ 6.90260256e-04 4.89198253e-04 -1.01761922e-03] [-6.90260272e-04 -4.89198270e-04 -1.01761920e-03] [-6.90260238e-04 4.89198225e-04 1.01761922e-03] [ 6.90260252e-04 -4.89198253e-04 1.01761921e-03] [ 4.55860644e-04 1.54576122e-04 -1.30129389e-03] [ 4.55860660e-04 -1.54576138e-04 1.30129387e-03] [-4.55860656e-04 -1.54576129e-04 -1.30129388e-03] [-4.55860641e-04 1.54576107e-04 1.30129392e-03] [-1.42680038e-04 3.09095070e-04 1.36098430e-05] [ 1.42680025e-04 3.09095078e-04 -1.36098520e-05] [-1.42680036e-04 -3.09095077e-04 -1.36098491e-05] [ 1.42680038e-04 -3.09095087e-04 1.36098404e-05] [ 9.96291614e-04 1.21397966e-04 -9.34982425e-04] [-9.96291607e-04 -1.21397947e-04 -9.34982418e-04] [-9.96291622e-04 1.21397967e-04 9.34982439e-04] [ 9.96291619e-04 -1.21397932e-04 9.34982406e-04] [ 9.46631283e-04 -6.51281785e-05 -3.53809939e-04] [-9.46631299e-04 6.51282197e-05 -3.53809919e-04] [-9.46631268e-04 -6.51281850e-05 3.53809933e-04] [ 9.46631292e-04 6.51281881e-05 3.53809931e-04]] Final stress: [-1.70805068e-05 -6.12313878e-06 -6.34490199e-06 -3.48017969e-14 -7.92256752e-14 -5.06786566e-14] Minimization converged after 105 steps. Minimization converged after 103 steps. Minimization converged after 95 steps. Minimization converged after 84 steps. Minimization converged after 107 steps. Minimization converged after 105 steps. Minimization converged after 104 steps. Minimization converged after 105 steps. Minimization converged after 111 steps. Minimization converged after 114 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 0.01738903 -0.00018956 0.01252 ] [-0.01738903 0.00018956 0.01252 ] [ 0.00809536 -0.01342092 -0.00561311] [-0.00809536 0.01342092 -0.00561311] [-0.01435218 -0.00051054 -0.00282311] [ 0.01435218 0.00051054 -0.00282311] [ 0.0240094 -0.00499836 -0.01165691] [-0.0240094 0.00499836 -0.01165691] [ 0.01039771 0.00010441 -0.00289405] [ 0.00181411 -0.00599326 0.01667995] [-0.01039771 -0.00010441 -0.00289405] [-0.00181411 0.00599326 0.01667995] [ 0.01428712 0.01262986 0.00742723] [ 0.00944555 0.00332902 0.00032332] [-0.00944555 -0.00332902 0.00032332] [-0.01428712 -0.01262986 0.00742723] [ 0.02309463 -0.00163289 -0.00403077] [-0.02309463 0.00163289 -0.00403077] [ 0.0214036 0.00944426 -0.00998844] [-0.0214036 -0.00944426 -0.00998844] [ 0.01688705 -0.00606278 -0.0012078 ] [-0.01688705 0.00606278 -0.0012078 ] [-0.00777951 0.00647663 0.00126369] [ 0.00777951 -0.00647663 0.00126369]] Final stress: [ 3.05533999e-05 5.83479082e-04 3.05982537e-05 5.10075226e-14 2.34353862e-13 -4.95336021e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-0.00810312 -0.01342526 0.00560809] [ 0.00810312 0.01342526 0.00560809] [-0.0173875 -0.00018574 -0.01251366] [ 0.0173875 0.00018574 -0.01251366] [-0.02400833 -0.00499629 0.01164684] [ 0.02400833 0.00499629 0.01164684] [ 0.01434383 -0.00051056 0.00283069] [-0.01434383 0.00051056 0.00283069] [ 0.0017947 0.00599505 -0.01667742] [ 0.01040093 -0.00010732 0.00289304] [-0.0017947 -0.00599505 -0.01667742] [-0.01040093 0.00010732 0.00289304] [-0.00943802 0.00332995 -0.0003175 ] [-0.01429396 0.01263145 -0.00743978] [ 0.01429396 -0.01263145 -0.00743978] [ 0.00943802 -0.00332995 -0.0003175 ] [-0.02139983 0.00944664 0.00998873] [ 0.02139983 -0.00944664 0.00998873] [-0.02310186 -0.00164325 0.0040315 ] [ 0.02310186 0.00164325 0.0040315 ] [ 0.00776831 0.00647255 -0.00125819] [-0.00776831 -0.00647255 -0.00125819] [-0.01689267 -0.00607106 0.00120766] [ 0.01689267 0.00607106 0.00120766]] Final stress: [3.03297184e-05 5.83409885e-04 3.03656759e-05 2.11982455e-13 3.61197935e-14 4.95406750e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00107026 0.00097185 0.00065971] [-0.00107026 -0.00097185 0.00065971] [-0.00107026 0.00097185 -0.00065971] [ 0.00107026 -0.00097185 -0.00065971] [-0.00155402 -0.00058381 0.00155475] [ 0.00155402 0.00058381 0.00155475] [ 0.00155402 -0.00058381 -0.00155475] [-0.00155402 0.00058381 -0.00155475] [ 0.00074278 -0.00044921 0.00118926] [ 0.00074278 0.00044921 -0.00118926] [-0.00074278 0.0004492 0.00118926] [-0.00074278 -0.0004492 -0.00118926] [ 0.00241396 -0.00187362 -0.00016769] [-0.00241396 -0.00187362 0.00016769] [ 0.00241396 0.00187362 0.00016769] [-0.00241396 0.00187362 -0.00016769] [-0.0002457 -0.00271545 0.00161443] [ 0.0002457 0.00271545 0.00161443] [ 0.0002457 -0.00271545 -0.00161443] [-0.0002457 0.00271545 -0.00161443] [-0.0005674 -0.00188551 0.00125979] [ 0.0005674 0.00188551 0.00125979] [ 0.0005674 -0.00188551 -0.00125979] [-0.0005674 0.00188551 -0.00125979]] Final stress: [ 1.69866284e-06 -5.39253400e-07 -9.76169398e-06 1.31290903e-13 1.10086449e-13 -1.44575241e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-2.92731231e-03 -2.67566638e-03 -1.49957705e-03] [ 2.92731231e-03 2.67566642e-03 -1.49957709e-03] [ 2.92731246e-03 -2.67566656e-03 1.49957723e-03] [-2.92731223e-03 2.67566634e-03 1.49957697e-03] [ 4.83231465e-03 2.43764914e-03 -3.79292472e-03] [-4.83231462e-03 -2.43764911e-03 -3.79292474e-03] [-4.83231476e-03 2.43764932e-03 3.79292469e-03] [ 4.83231485e-03 -2.43764947e-03 3.79292434e-03] [-1.24500275e-03 1.67346253e-03 -2.42695932e-03] [-1.24500270e-03 -1.67346261e-03 2.42695924e-03] [ 1.24500250e-03 -1.67346272e-03 -2.42695905e-03] [ 1.24500238e-03 1.67346296e-03 2.42695864e-03] [-7.03718045e-03 5.25911992e-03 4.23622004e-05] [ 7.03718020e-03 5.25911988e-03 -4.23623792e-05] [-7.03718068e-03 -5.25911968e-03 -4.23620467e-05] [ 7.03718057e-03 -5.25911971e-03 4.23621281e-05] [ 1.34661628e-03 7.43153710e-03 -5.16481519e-03] [-1.34661592e-03 -7.43153710e-03 -5.16481463e-03] [-1.34661612e-03 7.43153724e-03 5.16481496e-03] [ 1.34661616e-03 -7.43153746e-03 5.16481538e-03] [ 1.58064156e-03 5.87235648e-03 -2.52924059e-03] [-1.58064161e-03 -5.87235671e-03 -2.52924114e-03] [-1.58064163e-03 5.87235662e-03 2.52924099e-03] [ 1.58064186e-03 -5.87235643e-03 2.52924118e-03]] Final stress: [ 1.54284391e-05 8.64023701e-06 7.69988479e-05 5.92960862e-13 -3.32239524e-13 1.23338268e-13] Minimization converged after 110 steps. Minimization converged after 110 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 1.21714448e-02 1.72077494e-02 -2.06151775e-04] [-5.69968138e-03 8.06705599e-03 -1.32413691e-02] [-5.69968137e-03 -8.06705599e-03 1.32413691e-02] [ 1.21714449e-02 -1.72077495e-02 2.06151714e-04] [ 7.77531983e-03 1.44400566e-02 1.25642686e-02] [ 4.17000495e-05 9.06715910e-03 3.36354601e-03] [ 4.17000452e-05 -9.06715910e-03 -3.36354593e-03] [ 7.77531980e-03 -1.44400566e-02 -1.25642687e-02] [-3.25180071e-03 -1.41619637e-02 -6.16883904e-04] [-3.25180059e-03 1.41619636e-02 6.16883862e-04] [-1.15127168e-02 2.37792622e-02 -4.86223732e-03] [-1.15127169e-02 -2.37792621e-02 4.86223723e-03] [-2.97315862e-03 1.05389383e-02 1.81418758e-04] [ 1.65080789e-02 1.26353500e-03 -6.06922970e-03] [-2.97315887e-03 -1.05389382e-02 -1.81418594e-04] [ 1.65080791e-02 -1.26353493e-03 6.06922958e-03] [-3.80143320e-03 2.33896185e-02 -1.92465008e-03] [-9.61096360e-03 2.14748959e-02 9.38210783e-03] [-9.61096378e-03 -2.14748960e-02 -9.38210771e-03] [-3.80143331e-03 -2.33896186e-02 1.92465003e-03] [-1.02711855e-03 1.69366046e-02 -6.27593535e-03] [ 1.38032926e-03 -7.51631678e-03 6.19617183e-03] [ 1.38032947e-03 7.51631675e-03 -6.19617198e-03] [-1.02711854e-03 -1.69366046e-02 6.27593555e-03]] Final stress: [ 2.42422882e-05 2.44309091e-05 5.80557710e-04 -4.97029941e-04 -3.59614981e-13 -8.93647998e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 0.0056318 -0.00808753 -0.01341195] [-0.01249577 -0.0173794 -0.00020911] [-0.01249577 0.0173794 0.00020911] [ 0.0056318 0.00808753 0.01341195] [-0.00030466 -0.0094304 0.0033197 ] [-0.00742286 -0.01428192 0.01262029] [-0.00742286 0.01428192 -0.01262029] [-0.00030466 0.0094304 -0.0033197 ] [ 0.0116511 -0.02401392 -0.00500332] [ 0.0116511 0.02401392 0.00500332] [ 0.00281541 0.01434805 -0.00049362] [ 0.00281541 -0.01434805 0.00049362] [-0.01667783 0.00181692 0.00601038] [ 0.00290068 0.0104064 -0.00010912] [-0.01667783 -0.00181692 -0.00601038] [ 0.00290068 -0.0104064 0.00010912] [ 0.0099604 -0.02142572 0.00944102] [ 0.00402558 -0.02309638 -0.00164595] [ 0.00402558 0.02309638 0.00164595] [ 0.0099604 0.02142572 -0.00944102] [-0.00127858 0.00780174 0.0064826 ] [ 0.00119474 -0.0168714 -0.00606838] [ 0.00119474 0.0168714 0.00606838] [-0.00127858 -0.00780174 -0.0064826 ]] Final stress: [ 3.08519978e-05 3.08382409e-05 5.83763513e-04 4.95524094e-04 -1.22412930e-13 -1.33138891e-13] Minimization converged after 105 steps. Minimization converged after 109 steps. Minimization converged after 81 steps. Minimization converged after 85 steps. Minimization converged after 103 steps. Minimization converged after 104 steps. Minimization converged after 100 steps. Minimization converged after 103 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00739413 0.01219204 0.01059289] [-0.00739413 -0.01219204 0.01059289] [-0.00739413 0.01219203 -0.01059289] [ 0.00739413 -0.01219203 -0.01059289] [-0.00049188 0.02537563 -0.01993378] [ 0.00049188 -0.02537563 -0.01993378] [ 0.00049188 0.02537563 0.01993378] [-0.00049188 -0.02537564 0.01993378] [ 0.01680335 -0.01546612 -0.00770331] [ 0.01680335 0.01546612 0.00770331] [-0.01680335 0.01546612 -0.00770331] [-0.01680335 -0.01546612 0.00770331] [ 0.01192948 0.00950328 -0.00503112] [-0.01192948 0.00950328 0.00503112] [ 0.01192948 -0.00950328 0.00503112] [-0.01192948 -0.00950328 -0.00503112] [ 0.01677594 -0.00458965 -0.02987279] [-0.01677594 0.00458965 -0.02987278] [-0.01677594 -0.00458965 0.02987279] [ 0.01677594 0.00458965 0.02987279] [ 0.01327701 -0.0039025 -0.02093194] [-0.01327701 0.0039025 -0.02093194] [-0.01327701 -0.0039025 0.02093194] [ 0.01327701 0.0039025 0.02093194]] Final stress: [-2.64235476e-04 1.90549506e-05 -2.27554975e-06 -1.68195299e-12 -7.08346664e-13 3.92714159e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 1.90577145e-05 -6.13563331e-05 -9.68432744e-05] [-1.90577146e-05 6.13563343e-05 -9.68432747e-05] [-1.90577120e-05 -6.13563363e-05 9.68432770e-05] [ 1.90577141e-05 6.13563339e-05 9.68432745e-05] [ 1.57992210e-04 -4.88413228e-04 1.85564471e-04] [-1.57992214e-04 4.88413220e-04 1.85564475e-04] [-1.57992215e-04 -4.88413220e-04 -1.85564472e-04] [ 1.57992213e-04 4.88413222e-04 -1.85564472e-04] [-1.09099463e-04 5.22053388e-04 1.29241185e-04] [-1.09099461e-04 -5.22053390e-04 -1.29241186e-04] [ 1.09099457e-04 -5.22053393e-04 1.29241190e-04] [ 1.09099463e-04 5.22053390e-04 -1.29241185e-04] [-1.17097178e-04 -1.00389875e-04 1.34723360e-04] [ 1.17097182e-04 -1.00389883e-04 -1.34723356e-04] [-1.17097183e-04 1.00389879e-04 -1.34723356e-04] [ 1.17097180e-04 1.00389879e-04 1.34723359e-04] [-3.13058237e-04 -9.90846240e-05 3.64770633e-04] [ 3.13058243e-04 9.90846273e-05 3.64770636e-04] [ 3.13058242e-04 -9.90846196e-05 -3.64770635e-04] [-3.13058245e-04 9.90846221e-05 -3.64770638e-04] [-1.89924977e-04 2.29768422e-04 9.66918243e-05] [ 1.89924976e-04 -2.29768427e-04 9.66918235e-05] [ 1.89924978e-04 2.29768427e-04 -9.66918292e-05] [-1.89924973e-04 -2.29768416e-04 -9.66918297e-05]] Final stress: [-4.79660562e-06 -2.38606587e-06 -2.47418756e-06 2.36180742e-15 -9.42382374e-15 7.18290412e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 8.66207527e-05 2.55054037e-04 5.20449727e-05] [-8.66207684e-05 -2.55054051e-04 5.20449900e-05] [-8.66208010e-05 2.55054088e-04 -5.20450195e-05] [ 8.66207755e-05 -2.55054063e-04 -5.20449905e-05] [ 1.26931223e-04 9.24958819e-04 -9.33135755e-05] [-1.26931240e-04 -9.24958842e-04 -9.33135504e-05] [-1.26931211e-04 9.24958792e-04 9.33135706e-05] [ 1.26931174e-04 -9.24958741e-04 9.33135940e-05] [-2.38992022e-04 -5.06612042e-05 -7.58420114e-05] [-2.38992014e-04 5.06612272e-05 7.58420315e-05] [ 2.38992032e-04 5.06612324e-05 -7.58420493e-05] [ 2.38992019e-04 -5.06612502e-05 7.58420621e-05] [-2.99138193e-04 5.29194259e-04 -3.47014305e-04] [ 2.99138150e-04 5.29194328e-04 3.47014278e-04] [-2.99138163e-04 -5.29194307e-04 3.47014286e-04] [ 2.99138191e-04 -5.29194269e-04 -3.47014314e-04] [ 4.40816216e-05 4.09014707e-04 -4.37681338e-04] [-4.40816018e-05 -4.09014754e-04 -4.37681374e-04] [-4.40816361e-05 4.09014643e-04 4.37681386e-04] [ 4.40816504e-05 -4.09014620e-04 4.37681330e-04] [-1.53800920e-04 3.92984869e-04 -6.42195542e-04] [ 1.53800956e-04 -3.92984874e-04 -6.42195539e-04] [ 1.53800980e-04 3.92984884e-04 6.42195546e-04] [-1.53800954e-04 -3.92984911e-04 6.42195564e-04]] Final stress: [ 3.05960387e-06 3.00915833e-06 1.19781080e-05 -9.45040868e-14 -7.78520147e-15 -1.33477853e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.61511679e-04 -4.06383725e-04 2.19435345e-04] [-2.61511671e-04 4.06383729e-04 2.19435339e-04] [-2.61511685e-04 -4.06383719e-04 -2.19435352e-04] [ 2.61511668e-04 4.06383733e-04 -2.19435334e-04] [-3.52382606e-04 3.92852274e-06 1.20808687e-04] [ 3.52382603e-04 -3.92852363e-06 1.20808674e-04] [ 3.52382594e-04 3.92854147e-06 -1.20808712e-04] [-3.52382626e-04 -3.92848656e-06 -1.20808643e-04] [-3.26731986e-05 2.01528513e-04 3.03777015e-04] [-3.26731948e-05 -2.01528516e-04 -3.03777030e-04] [ 3.26731973e-05 -2.01528511e-04 3.03777015e-04] [ 3.26732070e-05 2.01528498e-04 -3.03776988e-04] [-2.83414712e-04 -8.91268453e-05 2.16917444e-04] [ 2.83414721e-04 -8.91268481e-05 -2.16917437e-04] [-2.83414674e-04 8.91268187e-05 -2.16917474e-04] [ 2.83414688e-04 8.91268343e-05 2.16917462e-04] [ 8.89458120e-05 -5.57024219e-05 2.15560032e-04] [-8.89458259e-05 5.57024162e-05 2.15559967e-04] [-8.89458138e-05 -5.57024270e-05 -2.15559998e-04] [ 8.89458239e-05 5.57024355e-05 -2.15560009e-04] [ 7.64981257e-05 2.12041328e-04 -4.07001958e-04] [-7.64980977e-05 -2.12041348e-04 -4.07001886e-04] [-7.64981172e-05 2.12041344e-04 4.07001941e-04] [ 7.64981021e-05 -2.12041342e-04 4.07001898e-04]] Final stress: [-2.33917698e-06 -1.42316343e-06 -1.74938903e-06 -4.22775683e-14 6.79747158e-14 -1.09954251e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.56514015e-04 4.87795814e-04 -1.52652354e-04] [ 2.56514016e-04 -4.87795814e-04 -1.52652353e-04] [ 2.56514010e-04 4.87795820e-04 1.52652348e-04] [-2.56514016e-04 -4.87795814e-04 1.52652354e-04] [ 3.31305723e-04 8.22055774e-05 -8.91502584e-05] [-3.31305718e-04 -8.22055703e-05 -8.91502623e-05] [-3.31305709e-04 8.22055569e-05 8.91502764e-05] [ 3.31305720e-04 -8.22055745e-05 8.91502659e-05] [ 1.17011127e-04 -1.51230616e-04 -2.92117082e-04] [ 1.17011126e-04 1.51230617e-04 2.92117085e-04] [-1.17011118e-04 1.51230619e-04 -2.92117085e-04] [-1.17011120e-04 -1.51230622e-04 2.92117091e-04] [ 2.29726510e-04 -3.33384691e-05 -1.14528800e-04] [-2.29726496e-04 -3.33384729e-05 1.14528809e-04] [ 2.29726508e-04 3.33384684e-05 1.14528802e-04] [-2.29726515e-04 3.33384593e-05 -1.14528797e-04] [-4.81566206e-05 3.07064911e-04 -8.09428179e-06] [ 4.81566031e-05 -3.07064901e-04 -8.09427855e-06] [ 4.81566152e-05 3.07064907e-04 8.09427048e-06] [-4.81566157e-05 -3.07064903e-04 8.09426742e-06] [-2.40389008e-04 -2.18335668e-04 3.44682464e-04] [ 2.40389005e-04 2.18335684e-04 3.44682465e-04] [ 2.40389013e-04 -2.18335680e-04 -3.44682470e-04] [-2.40389024e-04 2.18335670e-04 -3.44682477e-04]] Final stress: [ 9.59885424e-07 -4.90893532e-06 -1.85333045e-06 1.25931528e-14 1.29207542e-15 4.08934980e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00086023 -0.00254487 -0.00087491] [ 0.00086023 0.00254487 -0.00087491] [ 0.00086023 -0.00254487 0.00087491] [-0.00086023 0.00254487 0.00087491] [ 0.00023953 -0.00829633 0.00409288] [-0.00023953 0.00829633 0.00409288] [-0.00023953 -0.00829633 -0.00409288] [ 0.00023953 0.00829633 -0.00409288] [ 0.00169779 -0.00041506 -0.00102159] [ 0.00169779 0.00041506 0.00102159] [-0.00169779 0.00041506 -0.00102159] [-0.00169779 -0.00041506 0.00102159] [ 0.00252046 -0.00790116 0.00365852] [-0.00252046 -0.00790116 -0.00365852] [ 0.00252046 0.00790116 -0.00365852] [-0.00252046 0.00790116 0.00365852] [ 0.00032463 -0.00660485 0.00793763] [-0.00032463 0.00660485 0.00793763] [-0.00032463 -0.00660485 -0.00793763] [ 0.00032463 0.00660485 -0.00793763] [ 0.00123633 -0.00445319 0.00657721] [-0.00123633 0.00445319 0.00657721] [-0.00123633 -0.00445319 -0.00657721] [ 0.00123633 0.00445319 -0.00657721]] Final stress: [ 3.85978577e-05 3.66648523e-05 -5.50765268e-05 -1.30657665e-12 -1.34281993e-13 1.65903185e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.20698497e-04 9.51510224e-05 1.56744335e-04] [-3.20698515e-04 -9.51510382e-05 1.56744357e-04] [-3.20698497e-04 9.51510220e-05 -1.56744340e-04] [ 3.20698496e-04 -9.51510179e-05 -1.56744336e-04] [-7.65450266e-05 3.62282226e-05 -1.62737147e-04] [ 7.65450057e-05 -3.62282575e-05 -1.62737085e-04] [ 7.65449876e-05 3.62282793e-05 1.62737086e-04] [-7.65449850e-05 -3.62282888e-05 1.62737057e-04] [ 5.78736984e-04 -4.07074787e-04 -2.74595827e-04] [ 5.78736945e-04 4.07074807e-04 2.74595869e-04] [-5.78736930e-04 4.07074841e-04 -2.74595925e-04] [-5.78736955e-04 -4.07074798e-04 2.74595846e-04] [ 7.76455288e-04 -2.18768856e-04 -7.33588851e-05] [-7.76455347e-04 -2.18768819e-04 7.33588531e-05] [ 7.76455302e-04 2.18768863e-04 7.33588859e-05] [-7.76455253e-04 2.18768874e-04 -7.33589179e-05] [ 4.29629150e-04 -5.39686256e-04 -4.40973081e-05] [-4.29629165e-04 5.39686217e-04 -4.40973303e-05] [-4.29629173e-04 -5.39686220e-04 4.40973959e-05] [ 4.29629170e-04 5.39686224e-04 4.40973393e-05] [ 3.89218208e-04 -4.51048679e-04 3.41173039e-05] [-3.89218214e-04 4.51048681e-04 3.41172384e-05] [-3.89218262e-04 -4.51048707e-04 -3.41172849e-05] [ 3.89218287e-04 4.51048673e-04 -3.41171795e-05]] Final stress: [ 2.38469982e-06 8.24026006e-06 2.43492281e-06 -5.75416672e-14 -4.76917241e-14 -8.99509961e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 4.64586841e-04 -1.67156213e-04 -2.22407070e-04] [-4.64586829e-04 1.67156225e-04 -2.22407083e-04] [-4.64586817e-04 -1.67156237e-04 2.22407092e-04] [ 4.64586826e-04 1.67156227e-04 2.22407083e-04] [-1.52518436e-04 -3.04930363e-04 8.78912620e-05] [ 1.52518440e-04 3.04930366e-04 8.78912499e-05] [ 1.52518411e-04 -3.04930327e-04 -8.78912745e-05] [-1.52518418e-04 3.04930343e-04 -8.78912682e-05] [ 1.83636653e-05 -1.57717206e-04 2.71317555e-04] [ 1.83636163e-05 1.57717232e-04 -2.71317514e-04] [-1.83636863e-05 1.57717186e-04 2.71317589e-04] [-1.83636362e-05 -1.57717211e-04 -2.71317543e-04] [ 5.74318488e-05 -1.10054801e-04 3.77585505e-04] [-5.74318636e-05 -1.10054804e-04 -3.77585509e-04] [ 5.74318711e-05 1.10054791e-04 -3.77585514e-04] [-5.74318464e-05 1.10054814e-04 3.77585505e-04] [ 2.54205094e-04 -1.98351897e-05 1.51263132e-05] [-2.54205085e-04 1.98351950e-05 1.51263288e-05] [-2.54205052e-04 -1.98351966e-05 -1.51263452e-05] [ 2.54205061e-04 1.98351826e-05 -1.51263167e-05] [-2.46034164e-04 3.23634580e-04 -1.95518983e-04] [ 2.46034166e-04 -3.23634616e-04 -1.95518991e-04] [ 2.46034107e-04 3.23634588e-04 1.95518976e-04] [-2.46034112e-04 -3.23634565e-04 1.95518952e-04]] Final stress: [-3.64529527e-06 -1.79932676e-06 -2.06898528e-07 4.31292263e-14 1.12677808e-14 6.87348033e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-4.14162704e-04 2.15892991e-04 2.73527889e-04] [ 4.14162716e-04 -2.15892978e-04 2.73527876e-04] [ 4.14162707e-04 2.15892986e-04 -2.73527884e-04] [-4.14162704e-04 -2.15892992e-04 -2.73527888e-04] [ 2.00900641e-04 2.98319486e-04 -3.60618592e-05] [-2.00900654e-04 -2.98319512e-04 -3.60618514e-05] [-2.00900647e-04 2.98319503e-04 3.60618462e-05] [ 2.00900627e-04 -2.98319465e-04 3.60618786e-05] [-7.60760514e-05 2.03399446e-04 -2.69790267e-04] [-7.60760387e-05 -2.03399450e-04 2.69790257e-04] [ 7.60760319e-05 -2.03399465e-04 -2.69790244e-04] [ 7.60760186e-05 2.03399468e-04 2.69790241e-04] [-5.30439542e-06 1.09685327e-04 -3.38728446e-04] [ 5.30441084e-06 1.09685302e-04 3.38728454e-04] [-5.30437976e-06 -1.09685341e-04 3.38728432e-04] [ 5.30438879e-06 -1.09685312e-04 -3.38728440e-04] [-7.69868980e-05 2.10616674e-04 1.15066561e-04] [ 7.69868989e-05 -2.10616661e-04 1.15066544e-04] [ 7.69868968e-05 2.10616654e-04 -1.15066556e-04] [-7.69868777e-05 -2.10616662e-04 -1.15066549e-04] [ 2.05154562e-04 -4.21333104e-04 9.89198697e-05] [-2.05154543e-04 4.21333054e-04 9.89198853e-05] [-2.05154537e-04 -4.21333044e-04 -9.89198627e-05] [ 2.05154533e-04 4.21333094e-04 -9.89198857e-05]] Final stress: [-1.05718154e-06 -1.77478428e-06 -2.74973060e-06 2.13373848e-14 4.17366821e-14 -3.11835140e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00254326 -0.00083195 -0.00081382] [ 0.00254326 0.00083195 -0.00081382] [ 0.00254326 -0.00083195 0.00081381] [-0.00254326 0.00083195 0.00081381] [-0.00042527 -0.0010821 0.00178318] [ 0.00042527 0.0010821 0.00178318] [ 0.00042527 -0.0010821 -0.00178318] [-0.00042527 0.0010821 -0.00178318] [-0.00808395 0.00375238 0.00255344] [-0.00808395 -0.00375238 -0.00255344] [ 0.00808395 -0.00375238 0.00255344] [ 0.00808395 0.00375238 -0.00255344] [-0.00855967 0.00425297 0.00024042] [ 0.00855967 0.00425297 -0.00024042] [-0.00855967 -0.00425297 -0.00024042] [ 0.00855967 -0.00425297 0.00024042] [-0.0067197 0.00821107 0.00039018] [ 0.0067197 -0.00821106 0.00039018] [ 0.0067197 0.00821106 -0.00039018] [-0.0067197 -0.00821106 -0.00039018] [-0.00463078 0.00671478 0.00124022] [ 0.00463078 -0.00671478 0.00124022] [ 0.00463078 0.00671478 -0.00124022] [-0.00463078 -0.00671478 -0.00124022]] Final stress: [ 3.81485937e-05 -5.59728919e-05 4.01612564e-05 -4.49929349e-13 4.39152092e-15 -5.17063251e-13] Minimization converged after 103 steps. Minimization converged after 106 steps. Minimization converged after 106 steps. Minimization converged after 102 steps. Minimization converged after 114 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-0.00019549 0.011682 0.01547434] [ 0.01123925 -0.00639256 -0.0061687 ] [ 0.00019549 0.011682 -0.01547434] [-0.01123925 -0.00639256 0.0061687 ] [ 0.00019298 -0.00212306 0.01016823] [-0.00481593 0.01634126 0.00110168] [-0.00019298 -0.00212306 -0.01016823] [ 0.00481593 0.01634126 -0.00110168] [ 0.01368169 0.00926556 0.01729028] [ 0.00170468 0.00075196 0.01030225] [-0.00170468 0.00075196 -0.01030225] [-0.01368169 0.00926556 -0.01729028] [-0.0004415 -0.00318534 -0.0132312 ] [ 0.0004415 -0.00318534 0.0132312 ] [-0.00667782 -0.01023055 0.02300849] [ 0.00667782 -0.01023055 -0.02300849] [-0.0006046 -0.004082 0.02367408] [-0.0101669 -0.0114226 -0.022765 ] [ 0.0006046 -0.004082 -0.02367408] [ 0.0101669 -0.0114226 0.022765 ] [-0.00705556 -0.00320217 0.01919544] [-0.00538067 0.0025975 0.00563639] [ 0.00705556 -0.00320217 -0.01919544] [ 0.00538067 0.0025975 -0.00563639]] Final stress: [ 5.21563744e-04 6.58212465e-07 -4.96580539e-06 7.68823682e-13 -4.58114021e-04 5.76417758e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-0.01114946 0.0064151 -0.00610352] [ 0.00019038 -0.01165861 0.01540012] [ 0.01114946 0.0064151 0.00610352] [-0.00019038 -0.01165861 -0.01540012] [ 0.00476477 -0.01627965 0.00113851] [-0.00020499 0.00211378 0.01009507] [-0.00476477 -0.01627965 -0.00113851] [ 0.00020499 0.00211378 -0.01009507] [ 0.00171615 -0.00076312 -0.01030633] [ 0.0135886 -0.00921247 -0.01719283] [-0.0135886 -0.00921247 0.01719283] [-0.00171615 -0.00076312 0.01030633] [-0.00664862 0.01022739 -0.02290924] [ 0.00664862 0.01022739 0.02290924] [-0.00044294 0.00317624 0.01318115] [ 0.00044294 0.00317624 -0.01318115] [ 0.01009988 0.0113837 -0.02262415] [ 0.00054667 0.00403764 0.02356049] [-0.01009988 0.01138371 0.02262415] [-0.00054667 0.00403764 -0.02356049] [ 0.00533898 -0.00261755 0.00556608] [ 0.00699406 0.00317755 0.01912563] [-0.00533898 -0.00261755 -0.00556608] [-0.00699406 0.00317755 -0.01912563]] Final stress: [ 5.18505217e-04 1.82262614e-07 -5.72375717e-06 -6.78017297e-15 4.56207751e-04 3.22819663e-13] Minimization converged after 102 steps. Minimization converged after 100 steps. Minimization converged after 86 steps. Minimization converged after 85 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.01034667 0.00737982 0.0118994 ] [-0.01034667 -0.00737982 0.0118994 ] [-0.01034667 0.00737982 -0.0118994 ] [ 0.01034667 -0.00737982 -0.0118994 ] [-0.00498872 0.01154167 0.00888132] [ 0.00498872 -0.01154167 0.00888132] [ 0.00498872 0.01154167 -0.00888132] [-0.00498872 -0.01154167 -0.00888132] [-0.01944143 -0.00066819 0.02465622] [-0.01944143 0.00066819 -0.02465622] [ 0.01944143 0.00066818 0.02465622] [ 0.01944143 -0.00066818 -0.02465622] [-0.0071858 0.01625034 -0.01493554] [ 0.0071858 0.01625034 0.01493554] [-0.0071858 -0.01625034 0.01493554] [ 0.0071858 -0.01625034 -0.01493554] [-0.0289417 0.01580532 -0.00459915] [ 0.0289417 -0.01580532 -0.00459914] [ 0.0289417 0.01580532 0.00459915] [-0.0289417 -0.01580532 0.00459915] [-0.0199531 0.01276824 -0.00371916] [ 0.0199531 -0.01276824 -0.00371916] [ 0.0199531 0.01276824 0.00371916] [-0.0199531 -0.01276824 0.00371916]] Final stress: [-1.20869370e-05 -2.60717999e-04 8.27029729e-06 2.76109301e-12 -2.51032877e-12 1.35831176e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-9.78857819e-05 2.11213231e-05 -6.09820442e-05] [ 9.78857852e-05 -2.11213202e-05 -6.09820472e-05] [ 9.78857834e-05 2.11213213e-05 6.09820456e-05] [-9.78857869e-05 -2.11213194e-05 6.09820480e-05] [ 1.34415416e-04 -1.16687003e-04 -1.00478812e-04] [-1.34415412e-04 1.16687011e-04 -1.00478824e-04] [-1.34415413e-04 -1.16687009e-04 1.00478816e-04] [ 1.34415418e-04 1.16687004e-04 1.00478812e-04] [ 1.82817559e-04 1.59809434e-04 -4.87500856e-04] [ 1.82817552e-04 -1.59809431e-04 4.87500858e-04] [-1.82817555e-04 -1.59809433e-04 -4.87500855e-04] [-1.82817558e-04 1.59809436e-04 4.87500850e-04] [ 1.27666152e-04 -1.07321056e-04 5.25186092e-04] [-1.27666165e-04 -1.07321047e-04 -5.25186101e-04] [ 1.27666170e-04 1.07321046e-04 -5.25186104e-04] [-1.27666167e-04 1.07321049e-04 5.25186101e-04] [ 3.64109142e-04 -3.13378040e-04 -1.00064233e-04] [-3.64109152e-04 3.13378042e-04 -1.00064230e-04] [-3.64109144e-04 -3.13378044e-04 1.00064229e-04] [ 3.64109156e-04 3.13378044e-04 1.00064245e-04] [ 9.50664529e-05 -1.89749426e-04 2.30146118e-04] [-9.50664476e-05 1.89749425e-04 2.30146120e-04] [-9.50664605e-05 -1.89749426e-04 -2.30146109e-04] [ 9.50664556e-05 1.89749419e-04 -2.30146119e-04]] Final stress: [-2.47172232e-06 -4.78948849e-06 -2.38423370e-06 1.16860993e-14 1.77748142e-14 -8.97950655e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 8.57285600e-05 1.37675860e-04 3.04157097e-04] [-8.57285725e-05 -1.37675872e-04 3.04157108e-04] [-8.57285659e-05 1.37675865e-04 -3.04157104e-04] [ 8.57285539e-05 -1.37675853e-04 -3.04157090e-04] [-3.86003200e-04 -2.91273314e-04 5.68401272e-04] [ 3.86003178e-04 2.91273289e-04 5.68401276e-04] [ 3.86003180e-04 -2.91273291e-04 -5.68401293e-04] [-3.86003189e-04 2.91273304e-04 -5.68401280e-04] [-1.64618936e-04 -1.56927086e-06 8.22009661e-04] [-1.64618945e-04 1.56926461e-06 -8.22009678e-04] [ 1.64618921e-04 1.56926434e-06 8.22009683e-04] [ 1.64618948e-04 -1.56928705e-06 -8.22009641e-04] [-1.23897467e-05 -1.84051804e-04 -6.31060815e-05] [ 1.23897157e-05 -1.84051779e-04 6.31060633e-05] [-1.23897233e-05 1.84051791e-04 6.31060643e-05] [ 1.23897212e-05 1.84051785e-04 -6.31060648e-05] [-4.98811042e-04 -3.29300531e-06 4.35638268e-04] [ 4.98811065e-04 3.29299816e-06 4.35638265e-04] [ 4.98811073e-04 -3.29298866e-06 -4.35638251e-04] [-4.98811047e-04 3.29302188e-06 -4.35638269e-04] [-5.24470166e-04 -3.38910071e-05 3.86936561e-04] [ 5.24470192e-04 3.38910234e-05 3.86936595e-04] [ 5.24470170e-04 -3.38910088e-05 -3.86936567e-04] [-5.24470146e-04 3.38910151e-05 -3.86936594e-04]] Final stress: [ 9.82473925e-06 2.82586737e-06 2.77549432e-06 -5.99272570e-14 -1.76862944e-14 -1.30383679e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.17917840e-04 2.62099915e-04 -4.05844729e-04] [-2.17917840e-04 -2.62099914e-04 -4.05844731e-04] [-2.17917838e-04 2.62099913e-04 4.05844731e-04] [ 2.17917839e-04 -2.62099913e-04 4.05844730e-04] [ 2.23481607e-04 -3.01371901e-04 -1.71800575e-04] [-2.23481603e-04 3.01371911e-04 -1.71800585e-04] [-2.23481606e-04 -3.01371904e-04 1.71800583e-04] [ 2.23481606e-04 3.01371899e-04 1.71800577e-04] [ 1.06788721e-04 -3.80085809e-04 3.45956727e-05] [ 1.06788731e-04 3.80085804e-04 -3.45956806e-05] [-1.06788736e-04 3.80085802e-04 3.45956870e-05] [-1.06788737e-04 -3.80085804e-04 -3.45956843e-05] [ 2.90406562e-04 6.52374191e-05 2.19970399e-04] [-2.90406583e-04 6.52374310e-05 -2.19970412e-04] [ 2.90406545e-04 -6.52374052e-05 -2.19970389e-04] [-2.90406586e-04 -6.52374379e-05 2.19970414e-04] [ 2.32776584e-04 2.96477467e-05 -1.57986837e-05] [-2.32776558e-04 -2.96477605e-05 -1.57986617e-05] [-2.32776565e-04 2.96477693e-05 1.57986628e-05] [ 2.32776578e-04 -2.96477591e-05 1.57986797e-05] [-4.30187388e-04 6.33316878e-05 2.49257165e-04] [ 4.30187402e-04 -6.33316781e-05 2.49257171e-04] [ 4.30187414e-04 6.33316706e-05 -2.49257172e-04] [-4.30187391e-04 -6.33316828e-05 -2.49257170e-04]] Final stress: [-1.71622033e-06 -8.93439477e-07 -2.79813949e-06 -1.39140951e-14 -1.48667218e-14 1.33417671e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.65863338e-04 -2.25848140e-04 4.67106674e-04] [ 1.65863339e-04 2.25848142e-04 4.67106670e-04] [ 1.65863342e-04 -2.25848144e-04 -4.67106668e-04] [-1.65863333e-04 2.25848136e-04 -4.67106678e-04] [-1.52453782e-04 2.64557652e-04 4.07092506e-06] [ 1.52453793e-04 -2.64557634e-04 4.07091634e-06] [ 1.52453789e-04 2.64557639e-04 -4.07091471e-06] [-1.52453779e-04 -2.64557655e-04 -4.07094004e-06] [-1.08645736e-04 3.69838393e-04 6.35608474e-05] [-1.08645745e-04 -3.69838388e-04 -6.35608370e-05] [ 1.08645732e-04 -3.69838399e-04 6.35608572e-05] [ 1.08645728e-04 3.69838407e-04 -6.35608720e-05] [-3.04675166e-04 1.00363940e-04 -1.49905845e-04] [ 3.04675134e-04 1.00363958e-04 1.49905824e-04] [-3.04675171e-04 -1.00363933e-04 1.49905850e-04] [ 3.04675172e-04 -1.00363932e-04 -1.49905850e-04] [-1.61179627e-05 3.87217678e-07 2.65594193e-04] [ 1.61179789e-05 -3.87225022e-07 2.65594230e-04] [ 1.61179655e-05 3.87207902e-07 -2.65594215e-04] [-1.61179656e-05 -3.87224845e-07 -2.65594188e-04] [ 3.25045989e-04 -2.03550104e-04 -2.39165345e-04] [-3.25045996e-04 2.03550099e-04 -2.39165378e-04] [-3.25046000e-04 -2.03550107e-04 2.39165364e-04] [ 3.25046012e-04 2.03550096e-04 2.39165379e-04]] Final stress: [-1.80939217e-06 7.01216814e-08 -3.94122267e-06 3.57598880e-14 -2.35569056e-14 -1.15046012e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00084134 -0.00083303 -0.00251825] [ 0.00084134 0.00083303 -0.00251825] [ 0.00084134 -0.00083303 0.00251825] [-0.00084134 0.00083303 0.00251825] [ 0.00363918 0.00240727 -0.00782375] [-0.00363918 -0.00240727 -0.00782375] [-0.00363918 0.00240727 0.00782375] [ 0.00363918 -0.00240727 0.00782375] [ 0.00424695 0.00023051 -0.0084021 ] [ 0.00424695 -0.00023051 0.0084021 ] [-0.00424695 -0.00023051 -0.0084021 ] [-0.00424695 0.00023051 0.0084021 ] [-0.00116689 0.00181458 -0.00047611] [ 0.00116689 0.00181458 0.00047611] [-0.00116689 -0.00181458 0.00047611] [ 0.00116689 -0.00181458 -0.00047611] [ 0.00812416 0.00042943 -0.00659193] [-0.00812416 -0.00042943 -0.00659193] [-0.00812416 0.00042943 0.00659193] [ 0.00812416 -0.00042943 0.00659193] [ 0.00658785 0.00119817 -0.00446021] [-0.00658785 -0.00119817 -0.00446021] [-0.00658785 0.00119817 0.00446021] [ 0.00658785 -0.00119817 0.00446021]] Final stress: [-5.09543328e-05 4.31221181e-05 4.11690643e-05 6.77600186e-13 -1.03718446e-12 5.75660651e-14] Minimization converged after 104 steps. Minimization converged after 104 steps. Minimization converged after 86 steps. Minimization converged after 86 steps. Minimization converged after 104 steps. Minimization converged after 109 steps. Minimization converged after 105 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 62 steps. Final forces: [[-0.01374076 0.00179804 0.04054607] [ 0.01374073 -0.00179804 0.0405461 ] [-0.07569775 0.05340588 -0.04538256] [ 0.0756979 -0.05340605 -0.04538274] [-0.00973463 -0.00835352 -0.00451067] [ 0.00973465 0.0083535 -0.00451064] [-0.01837026 0.1163001 -0.07135266] [ 0.01837019 -0.11630004 -0.07135268] [-0.01424006 -0.10292198 -0.01564344] [ 0.02320942 -0.01149967 0.01120383] [ 0.01423995 0.10292192 -0.01564339] [-0.02320948 0.01149973 0.01120372] [-0.00996336 0.04769821 -0.03983087] [ 0.03096357 0.01096499 -0.02183851] [-0.03096367 -0.01096496 -0.02183842] [ 0.00996345 -0.04769813 -0.03983093] [ 0.00770101 -0.01261363 0.00278469] [-0.00770085 0.01261361 0.00278474] [ 0.05363475 0.02509532 0.09973991] [-0.05363484 -0.02509534 0.09974002] [ 0.02028642 0.03224638 0.02319046] [-0.02028638 -0.03224648 0.02319032] [ 0.0357152 0.02768372 0.02109376] [-0.03571519 -0.02768357 0.02109389]] Final stress: [ 3.61860207e-03 1.45076445e-03 7.45877485e-03 9.33471670e-12 -9.22310222e-11 3.67041245e-04] Minimization converged after 112 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 0.01554417 -0.00021526 0.01170579] [-0.01554417 0.00021526 0.01170579] [ 0.00622603 -0.01131615 -0.00636227] [-0.00622603 0.01131615 -0.00636227] [-0.01327733 -0.00043917 -0.00320037] [ 0.01327733 0.00043917 -0.00320037] [ 0.02308088 -0.00669261 -0.01023067] [-0.02308088 0.00669261 -0.01023067] [ 0.01022038 0.00017398 -0.00213628] [ 0.0010807 -0.00486486 0.01639085] [-0.01022038 -0.00017398 -0.00213628] [-0.0010807 0.00486486 0.01639085] [ 0.0173633 0.01375638 0.00930246] [ 0.01027187 0.00168611 0.00074844] [-0.01027186 -0.00168611 0.00074844] [-0.0173633 -0.01375638 0.00930246] [ 0.02376856 -0.00065147 -0.00412094] [-0.02376856 0.00065147 -0.00412094] [ 0.02288453 0.01021635 -0.0114449 ] [-0.02288453 -0.01021635 -0.0114449 ] [ 0.01923706 -0.00710284 -0.00321754] [-0.01923706 0.00710284 -0.00321754] [-0.0057081 0.005416 0.00256543] [ 0.0057081 -0.005416 0.00256543]] Final stress: [-4.45080308e-06 5.24094384e-04 9.04067801e-07 -2.50458029e-13 2.40303634e-13 -4.59984405e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-0.00627125 -0.01136777 0.00631461] [ 0.00627125 0.01136777 0.00631461] [-0.01558943 -0.00027431 -0.01170703] [ 0.01558943 0.00027431 -0.01170703] [-0.02309278 -0.00667944 0.01019732] [ 0.02309278 0.00667944 0.01019732] [ 0.01329319 -0.00042359 0.00323313] [-0.01329319 0.00042359 0.00323313] [ 0.00106239 0.00492135 -0.01640481] [ 0.0102337 -0.00014099 0.00215429] [-0.00106239 -0.00492135 -0.01640481] [-0.0102337 0.00014099 0.00215429] [-0.01016088 0.0016381 -0.00074447] [-0.01739392 0.01379803 -0.00932216] [ 0.01739392 -0.01379803 -0.00932216] [ 0.01016088 -0.0016381 -0.00074447] [-0.02296409 0.01023616 0.01142455] [ 0.02296409 -0.01023616 0.01142455] [-0.02382862 -0.00069771 0.00414808] [ 0.02382862 0.00069771 0.00414808] [ 0.00577308 0.00543046 -0.0025108 ] [-0.00577308 -0.00543046 -0.0025108 ] [-0.01921744 -0.00713874 0.00321729] [ 0.01921744 0.00713874 0.00321729]] Final stress: [-4.76101553e-06 5.25335528e-04 3.46453538e-07 -1.47141780e-13 5.06001924e-13 4.61858057e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.01225346 0.01064579 0.00752455] [-0.01225346 -0.01064579 0.00752455] [-0.01225346 0.01064579 -0.00752455] [ 0.01225346 -0.01064579 -0.00752455] [-0.01527546 -0.00757661 0.01656663] [ 0.01527546 0.0075766 0.01656663] [ 0.01527546 -0.00757661 -0.01656663] [-0.01527546 0.00757661 -0.01656663] [ 0.00939656 -0.00505048 0.01181406] [ 0.00939656 0.00505048 -0.01181406] [-0.00939656 0.00505048 0.01181406] [-0.00939656 -0.00505048 -0.01181406] [ 0.02511419 -0.01965833 -0.0004926 ] [-0.02511419 -0.01965833 0.0004926 ] [ 0.02511419 0.01965833 0.0004926 ] [-0.02511419 0.01965833 -0.0004926 ] [-0.0046683 -0.02969573 0.0164186 ] [ 0.0046683 0.02969573 0.0164186 ] [ 0.0046683 -0.02969573 -0.0164186 ] [-0.0046683 0.02969573 -0.0164186 ] [-0.00396899 -0.02060424 0.01309213] [ 0.003969 0.02060424 0.01309213] [ 0.00396899 -0.02060424 -0.01309213] [-0.00396899 0.02060424 -0.01309213]] Final stress: [ 1.90461389e-05 -2.00362751e-06 -2.62035813e-04 1.68544346e-12 2.08297026e-12 -1.34085470e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-5.84925931e-05 -9.78949644e-05 2.68559918e-05] [ 5.84925952e-05 9.78949659e-05 2.68559899e-05] [ 5.84925938e-05 -9.78949650e-05 -2.68559918e-05] [-5.84925972e-05 9.78949678e-05 -2.68559882e-05] [ 5.31711997e-04 1.25791050e-04 -1.03978752e-04] [-5.31711997e-04 -1.25791047e-04 -1.03978755e-04] [-5.31712003e-04 1.25791058e-04 1.03978746e-04] [ 5.31711997e-04 -1.25791048e-04 1.03978757e-04] [-1.00993123e-04 1.34308864e-04 -1.16147663e-04] [-1.00993131e-04 -1.34308861e-04 1.16147666e-04] [ 1.00993126e-04 -1.34308860e-04 -1.16147667e-04] [ 1.00993127e-04 1.34308861e-04 1.16147670e-04] [-4.85779902e-04 1.78302541e-04 1.63300632e-04] [ 4.85779902e-04 1.78302539e-04 -1.63300631e-04] [-4.85779895e-04 -1.78302540e-04 -1.63300636e-04] [ 4.85779892e-04 -1.78302543e-04 1.63300638e-04] [-1.01590488e-04 3.63464121e-04 -3.14684143e-04] [ 1.01590484e-04 -3.63464127e-04 -3.14684156e-04] [ 1.01590497e-04 3.63464128e-04 3.14684148e-04] [-1.01590487e-04 -3.63464129e-04 3.14684150e-04] [ 2.28695078e-04 9.14109554e-05 -1.91892645e-04] [-2.28695069e-04 -9.14109621e-05 -1.91892632e-04] [-2.28695080e-04 9.14109525e-05 1.91892637e-04] [ 2.28695076e-04 -9.14109585e-05 1.91892633e-04]] Final stress: [-2.39557818e-06 -2.48167185e-06 -4.77697190e-06 -1.56118476e-14 2.13429561e-14 1.03831783e-14] Minimization converged after 110 steps. Minimization converged after 111 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 0.00497358 0.00689217 -0.00177974] [-0.00435765 0.00309129 -0.00496233] [-0.00435765 -0.00309129 0.00496233] [ 0.00497358 -0.00689217 0.00177974] [ 0.00285446 0.00362009 0.00358058] [-0.00054155 0.00203565 0.00039451] [-0.00054155 -0.00203565 -0.00039451] [ 0.00285446 -0.00362009 -0.00358058] [-0.00165968 -0.00440346 0.00166279] [-0.00165968 0.00440346 -0.00166279] [-0.00394071 0.01026734 -0.00126391] [-0.00394071 -0.01026734 0.00126391] [-0.00088567 0.00219113 -0.00019548] [ 0.0064328 0.0005763 -0.00316541] [-0.00088567 -0.00219113 0.00019548] [ 0.0064328 -0.0005763 0.00316541] [-0.00080722 0.00902627 -0.00011848] [-0.00369492 0.00634118 0.00338485] [-0.00369492 -0.00634118 -0.00338485] [-0.00080722 -0.00902627 0.00011848] [ 0.00047807 0.00547701 -0.0020389 ] [ 0.0011485 -0.00112524 0.00150965] [ 0.0011485 0.00112524 -0.00150965] [ 0.00047807 -0.00547701 0.0020389 ]] Final stress: [-6.42209356e-05 -7.16254721e-05 1.84147114e-04 -2.66794283e-04 -8.63490360e-14 -1.00038765e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 0.00648805 -0.0058751 -0.01083638] [-0.01147302 -0.0150226 -0.00018572] [-0.01147302 0.0150226 0.00018572] [ 0.00648805 0.0058751 0.01083638] [-0.00075045 -0.01025606 0.00162427] [-0.00908472 -0.01689717 0.01331099] [-0.00908472 0.01689717 -0.01331099] [-0.00075045 0.01025606 -0.00162427] [ 0.01003271 -0.02254497 -0.00658347] [ 0.01003271 0.02254497 0.00658347] [ 0.00311004 0.01286578 -0.00036071] [ 0.00311004 -0.01286578 0.00036071] [-0.01598935 0.00111124 0.00461448] [ 0.00201502 0.00983673 -0.00024287] [-0.01598935 -0.00111124 -0.00461448] [ 0.00201502 -0.00983673 0.00024287] [ 0.01129938 -0.02210144 0.00994522] [ 0.00389597 -0.02313901 -0.00043837] [ 0.00389597 0.02313901 0.00043837] [ 0.01129938 0.02210144 -0.00994522] [-0.00271683 0.00523943 0.00516268] [ 0.00317319 -0.01888068 -0.00685929] [ 0.00317319 0.01888068 0.00685929] [-0.00271683 -0.00523943 -0.00516268]] Final stress: [-3.83246478e-06 -1.10057902e-05 5.04477276e-04 4.48095133e-04 1.40702312e-13 6.04064809e-13] Minimization converged after 106 steps. Minimization converged after 103 steps. Minimization converged after 87 steps. Minimization converged after 86 steps. Minimization converged after 100 steps. Minimization converged after 109 steps. Minimization converged after 110 steps. Minimization converged after 104 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.09883282 0.09137623 0.04644272] [-0.09883282 -0.09137623 0.04644272] [-0.09883282 0.09137623 -0.04644272] [ 0.09883282 -0.09137624 -0.04644272] [ 0.0327321 0.11279339 -0.11743761] [-0.0327321 -0.11279339 -0.11743762] [-0.0327321 0.11279339 0.11743762] [ 0.03273209 -0.11279337 0.11743763] [ 0.10519265 0.03180422 -0.04704741] [ 0.10519265 -0.03180422 0.04704742] [-0.10519266 -0.03180423 -0.0470474 ] [-0.10519265 0.03180422 0.04704741] [ 0.04208889 0.04793138 -0.02160728] [-0.04208889 0.04793138 0.02160728] [ 0.04208889 -0.04793139 0.02160728] [-0.04208888 -0.04793137 -0.02160728] [ 0.02625095 -0.03743285 -0.11691981] [-0.02625094 0.03743285 -0.11691981] [-0.02625095 -0.03743287 0.11691979] [ 0.02625095 0.03743286 0.1169198 ] [ 0.01350965 -0.0479261 -0.09912665] [-0.01350965 0.04792608 -0.09912665] [-0.01350964 -0.04792609 0.09912664] [ 0.01350964 0.0479261 0.09912663]] Final stress: [-9.72156546e-05 9.26721524e-04 4.16419250e-04 9.72901432e-12 5.33322265e-13 -8.13592973e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.03800868e-04 -1.97888199e-04 -1.89151060e-04] [ 1.03800879e-04 1.97888209e-04 -1.89151072e-04] [ 1.03800874e-04 -1.97888205e-04 1.89151066e-04] [-1.03800875e-04 1.97888204e-04 1.89151066e-04] [ 6.47801965e-05 -5.97147343e-04 3.83515589e-04] [-6.47801993e-05 5.97147336e-04 3.83515576e-04] [-6.47801963e-05 -5.97147342e-04 -3.83515590e-04] [ 6.47801997e-05 5.97147336e-04 -3.83515590e-04] [-2.58527197e-04 4.55915216e-04 1.84531419e-04] [-2.58527190e-04 -4.55915226e-04 -1.84531438e-04] [ 2.58527175e-04 -4.55915239e-04 1.84531457e-04] [ 2.58527180e-04 4.55915233e-04 -1.84531450e-04] [-2.01963860e-04 -1.16933363e-04 1.34565261e-04] [ 2.01963834e-04 -1.16933352e-04 -1.34565280e-04] [-2.01963835e-04 1.16933343e-04 -1.34565281e-04] [ 2.01963830e-04 1.16933343e-04 1.34565283e-04] [-3.72484684e-04 2.81681995e-05 5.57614021e-04] [ 3.72484694e-04 -2.81681858e-05 5.57614043e-04] [ 3.72484694e-04 2.81681986e-05 -5.57614035e-04] [-3.72484671e-04 -2.81681826e-05 -5.57614009e-04] [-2.16527579e-04 1.98525846e-04 3.61139389e-04] [ 2.16527589e-04 -1.98525849e-04 3.61139402e-04] [ 2.16527582e-04 1.98525861e-04 -3.61139368e-04] [-2.16527573e-04 -1.98525840e-04 -3.61139400e-04]] Final stress: [ 5.06676767e-07 -5.28596205e-07 -6.92671579e-07 1.91639993e-14 1.90498553e-15 -1.22103155e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 4.27543006e-04 1.57239525e-03 2.90780472e-04] [-4.27542980e-04 -1.57239525e-03 2.90780452e-04] [-4.27543193e-04 1.57239553e-03 -2.90780621e-04] [ 4.27543302e-04 -1.57239565e-03 -2.90780704e-04] [ 7.24639767e-05 5.81121454e-03 -2.19405074e-03] [-7.24641240e-05 -5.81121474e-03 -2.19405064e-03] [-7.24632070e-05 5.81121349e-03 2.19405149e-03] [ 7.24630953e-05 -5.81121323e-03 2.19405177e-03] [-1.14806689e-03 2.74680633e-04 7.69439703e-04] [-1.14806655e-03 -2.74680428e-04 -7.69439492e-04] [ 1.14806705e-03 -2.74680549e-04 7.69439636e-04] [ 1.14806653e-03 2.74680327e-04 -7.69439288e-04] [-1.46469573e-03 4.56972308e-03 -2.30100494e-03] [ 1.46469561e-03 4.56972346e-03 2.30100487e-03] [-1.46469536e-03 -4.56972346e-03 2.30100472e-03] [ 1.46469584e-03 -4.56972296e-03 -2.30100501e-03] [-4.23906743e-04 3.46068187e-03 -4.81298212e-03] [ 4.23906596e-04 -3.46068208e-03 -4.81298240e-03] [ 4.23905860e-04 3.46068080e-03 4.81298173e-03] [-4.23905814e-04 -3.46068068e-03 4.81298158e-03] [-4.97082667e-04 2.80481445e-03 -3.87794768e-03] [ 4.97082640e-04 -2.80481455e-03 -3.87794747e-03] [ 4.97083293e-04 2.80481507e-03 3.87794736e-03] [-4.97083531e-04 -2.80481492e-03 3.87794732e-03]] Final stress: [-2.63432634e-05 -2.72348811e-05 4.15150113e-05 -5.59750078e-13 3.21063236e-13 -2.09998924e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.95550574e-04 -4.87435027e-04 2.63564322e-04] [-1.95550591e-04 4.87435013e-04 2.63564339e-04] [-1.95550597e-04 -4.87435001e-04 -2.63564343e-04] [ 1.95550603e-04 4.87435000e-04 -2.63564347e-04] [-4.05101452e-04 -5.09928020e-05 8.37779818e-05] [ 4.05101446e-04 5.09927885e-05 8.37780117e-05] [ 4.05101479e-04 -5.09928509e-05 -8.37779708e-05] [-4.05101488e-04 5.09928609e-05 -8.37779695e-05] [-2.23488163e-04 2.27848080e-04 5.41860693e-04] [-2.23488132e-04 -2.27848085e-04 -5.41860702e-04] [ 2.23488144e-04 -2.27848087e-04 5.41860694e-04] [ 2.23488164e-04 2.27848062e-04 -5.41860667e-04] [-3.15149577e-04 -8.51812166e-05 3.12919032e-04] [ 3.15149559e-04 -8.51811807e-05 -3.12919046e-04] [-3.15149591e-04 8.51811943e-05 -3.12919027e-04] [ 3.15149629e-04 8.51812411e-05 3.12919000e-04] [ 2.72302898e-04 -2.72687829e-04 1.64463752e-04] [-2.72302856e-04 2.72687824e-04 1.64463751e-04] [-2.72302924e-04 -2.72687903e-04 -1.64463736e-04] [ 2.72302874e-04 2.72687900e-04 -1.64463787e-04] [ 2.25363597e-04 2.51587544e-04 -6.05179928e-04] [-2.25363622e-04 -2.51587534e-04 -6.05179937e-04] [-2.25363575e-04 2.51587581e-04 6.05179929e-04] [ 2.25363603e-04 -2.51587572e-04 6.05179956e-04]] Final stress: [-9.36531137e-06 1.92775126e-07 -4.54524076e-06 -2.28786051e-14 -8.24526598e-14 -1.06333641e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.22433240e-04 4.73271914e-04 -2.88777598e-04] [ 2.22433240e-04 -4.73271913e-04 -2.88777597e-04] [ 2.22433245e-04 4.73271910e-04 2.88777601e-04] [-2.22433242e-04 -4.73271913e-04 2.88777598e-04] [ 5.25634606e-04 1.37845126e-04 -2.20177377e-04] [-5.25634601e-04 -1.37845120e-04 -2.20177381e-04] [-5.25634614e-04 1.37845140e-04 2.20177374e-04] [ 5.25634609e-04 -1.37845129e-04 2.20177374e-04] [-5.73234543e-05 -1.77296634e-04 -4.37495079e-04] [-5.73234593e-05 1.77296638e-04 4.37495086e-04] [ 5.73234483e-05 1.77296630e-04 -4.37495074e-04] [ 5.73234593e-05 -1.77296631e-04 4.37495078e-04] [ 4.84989989e-04 4.08204979e-05 -2.15647208e-04] [-4.84989974e-04 4.08204801e-05 2.15647220e-04] [ 4.84989973e-04 -4.08204812e-05 2.15647220e-04] [-4.84989964e-04 -4.08204759e-05 -2.15647223e-04] [-1.37155968e-04 3.45735846e-04 -6.44590235e-05] [ 1.37155976e-04 -3.45735848e-04 -6.44590206e-05] [ 1.37155974e-04 3.45735846e-04 6.44590194e-05] [-1.37155988e-04 -3.45735868e-04 6.44590219e-05] [-2.89874659e-04 -3.74852281e-04 5.44911059e-04] [ 2.89874647e-04 3.74852262e-04 5.44911043e-04] [ 2.89874644e-04 -3.74852279e-04 -5.44911055e-04] [-2.89874644e-04 3.74852282e-04 -5.44911058e-04]] Final stress: [-1.57559693e-06 -7.70033489e-06 -4.60457942e-06 2.53872028e-14 -9.34702104e-15 2.77231985e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00033159 -0.00124802 -0.00027996] [ 0.00033159 0.00124802 -0.00027996] [ 0.00033159 -0.00124802 0.00027996] [-0.00033159 0.00124802 0.00027996] [ 0.00023747 -0.00437432 0.0020473 ] [-0.00023747 0.00437432 0.0020473 ] [-0.00023747 -0.00437432 -0.0020473 ] [ 0.00023747 0.00437432 -0.0020473 ] [ 0.00088439 -0.00011759 -0.0005712 ] [ 0.00088439 0.00011759 0.0005712 ] [-0.00088439 0.00011759 -0.0005712 ] [-0.00088439 -0.00011759 0.0005712 ] [ 0.00141176 -0.00401277 0.00203644] [-0.00141176 -0.00401277 -0.00203644] [ 0.00141176 0.00401277 -0.00203644] [-0.00141176 0.00401277 0.00203644] [ 0.00028853 -0.0033463 0.00401882] [-0.00028853 0.0033463 0.00401882] [-0.00028853 -0.0033463 -0.00401882] [ 0.00028853 0.0033463 -0.00401882] [ 0.00044212 -0.00202863 0.00338923] [-0.00044212 0.00202863 0.00338923] [-0.00044212 -0.00202863 -0.00338923] [ 0.00044212 0.00202863 -0.00338923]] Final stress: [ 1.74655294e-05 1.67153367e-05 -3.41857663e-05 4.05793948e-13 -1.03700532e-13 5.37252429e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.52426178e-03 3.66646867e-04 4.85944800e-04] [-1.52426186e-03 -3.66646947e-04 4.85944877e-04] [-1.52426176e-03 3.66646885e-04 -4.85944799e-04] [ 1.52426184e-03 -3.66646975e-04 -4.85944847e-04] [ 3.11227334e-04 6.37607914e-04 -1.03420388e-03] [-3.11227204e-04 -6.37607707e-04 -1.03420392e-03] [-3.11227280e-04 6.37607859e-04 1.03420363e-03] [ 3.11226758e-04 -6.37606981e-04 1.03420435e-03] [ 4.06048403e-03 -2.07731917e-03 -1.33763053e-03] [ 4.06048388e-03 2.07731948e-03 1.33763087e-03] [-4.06048386e-03 2.07731938e-03 -1.33763093e-03] [-4.06048402e-03 -2.07731935e-03 1.33763082e-03] [ 5.16146753e-03 -1.83632936e-03 6.58691622e-05] [-5.16146782e-03 -1.83632918e-03 -6.58693391e-05] [ 5.16146793e-03 1.83632913e-03 -6.58694386e-05] [-5.16146716e-03 1.83632983e-03 6.58689067e-05] [ 3.10268901e-03 -4.41879649e-03 -4.39691760e-04] [-3.10268891e-03 4.41879613e-03 -4.39692596e-04] [-3.10268945e-03 -4.41879714e-03 4.39692130e-04] [ 3.10268931e-03 4.41879670e-03 4.39692087e-04] [ 2.44442192e-03 -3.49618094e-03 -3.65945983e-04] [-2.44442178e-03 3.49618021e-03 -3.65945915e-04] [-2.44442210e-03 -3.49618042e-03 3.65946039e-04] [ 2.44442187e-03 3.49618026e-03 3.65946262e-04]] Final stress: [-2.29779777e-05 4.04651402e-05 -2.22345720e-05 -4.47618495e-13 5.76243632e-13 -7.31837629e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 4.73652089e-04 -2.73787377e-04 -2.24952797e-04] [-4.73652086e-04 2.73787380e-04 -2.24952800e-04] [-4.73652089e-04 -2.73787376e-04 2.24952796e-04] [ 4.73652092e-04 2.73787372e-04 2.24952794e-04] [-1.79323437e-04 -3.95440644e-04 -1.09173970e-04] [ 1.79323442e-04 3.95440649e-04 -1.09173978e-04] [ 1.79323436e-04 -3.95440644e-04 1.09173970e-04] [-1.79323446e-04 3.95440664e-04 1.09173985e-04] [ 8.69222618e-05 -2.30958229e-04 4.50417592e-04] [ 8.69222447e-05 2.30958243e-04 -4.50417576e-04] [-8.69222569e-05 2.30958230e-04 4.50417592e-04] [-8.69222418e-05 -2.30958241e-04 -4.50417572e-04] [ 1.15047719e-04 -1.94994423e-04 5.36335629e-04] [-1.15047718e-04 -1.94994424e-04 -5.36335628e-04] [ 1.15047739e-04 1.94994408e-04 -5.36335642e-04] [-1.15047714e-04 1.94994431e-04 5.36335628e-04] [ 3.04523210e-04 -8.85041716e-05 -5.34860358e-05] [-3.04523220e-04 8.85041725e-05 -5.34860510e-05] [-3.04523211e-04 -8.85041957e-05 5.34860351e-05] [ 3.04523203e-04 8.85041891e-05 5.34860389e-05] [-3.98682918e-04 5.67497880e-04 -2.93663580e-04] [ 3.98682921e-04 -5.67497900e-04 -2.93663572e-04] [ 3.98682899e-04 5.67497891e-04 2.93663578e-04] [-3.98682918e-04 -5.67497887e-04 2.93663566e-04]] Final stress: [-6.76177919e-06 -4.43574792e-06 -2.18074512e-06 8.93940790e-15 2.16820803e-14 9.82137080e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-4.95829874e-04 2.56704936e-04 2.06110435e-04] [ 4.95829849e-04 -2.56704958e-04 2.06110463e-04] [ 4.95829863e-04 2.56704949e-04 -2.06110450e-04] [-4.95829857e-04 -2.56704949e-04 -2.06110450e-04] [ 2.35308891e-04 4.85240594e-04 -1.02376520e-04] [-2.35308902e-04 -4.85240611e-04 -1.02376470e-04] [-2.35308903e-04 4.85240610e-04 1.02376491e-04] [ 2.35308879e-04 -4.85240578e-04 1.02376511e-04] [-1.77706489e-04 3.50758659e-04 -2.81920819e-04] [-1.77706481e-04 -3.50758653e-04 2.81920831e-04] [ 1.77706501e-04 -3.50758629e-04 -2.81920875e-04] [ 1.77706519e-04 3.50758621e-04 2.81920884e-04] [-2.46162062e-05 4.99621714e-05 -4.56903163e-04] [ 2.46162127e-05 4.99621830e-05 4.56903171e-04] [-2.46162548e-05 -4.99621439e-05 4.56903196e-04] [ 2.46162614e-05 -4.99621482e-05 -4.56903203e-04] [-2.09976431e-04 2.22867540e-04 1.37368312e-04] [ 2.09976464e-04 -2.22867585e-04 1.37368267e-04] [ 2.09976423e-04 2.22867554e-04 -1.37368259e-04] [-2.09976477e-04 -2.22867549e-04 -1.37368340e-04] [ 3.20887567e-04 -6.97411725e-04 2.55454528e-04] [-3.20887583e-04 6.97411735e-04 2.55454524e-04] [-3.20887557e-04 -6.97411739e-04 -2.55454569e-04] [ 3.20887586e-04 6.97411716e-04 -2.55454497e-04]] Final stress: [-1.30600350e-06 -4.54304983e-06 -7.85182846e-06 -9.75405750e-14 -6.53912902e-14 -4.31290778e-15] Minimization converged after 9 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 6.77996016e-04 -1.53763265e-03 -4.67345059e-04] [-5.13977621e-04 1.01773136e-04 -6.45212908e-05] [-5.13977625e-04 -1.01773132e-04 6.45212868e-05] [ 6.77996016e-04 1.53763265e-03 4.67345061e-04] [-6.25088006e-05 4.74927103e-04 -1.84105582e-04] [ 4.43958854e-04 -1.98116124e-04 1.18002611e-04] [ 4.43958852e-04 1.98116122e-04 -1.18002612e-04] [-6.25088005e-05 -4.74927103e-04 1.84105583e-04] [ 5.63933839e-04 -7.62688926e-04 -2.27123301e-04] [ 5.63933837e-04 7.62688925e-04 2.27123302e-04] [ 5.23182706e-04 -5.06419117e-04 4.53048057e-04] [ 5.23182702e-04 5.06419118e-04 -4.53048060e-04] [-8.19403588e-04 -1.79193177e-04 1.31569518e-03] [-6.95926003e-05 -8.12523216e-05 -5.97868109e-04] [-8.19403592e-04 1.79193174e-04 -1.31569517e-03] [-6.95925992e-05 8.12523207e-05 5.97868108e-04] [-1.54939634e-04 -1.18956871e-03 -2.86228242e-04] [ 3.82117656e-04 -4.56481583e-04 -7.25925153e-04] [ 3.82117659e-04 4.56481581e-04 7.25925161e-04] [-1.54939635e-04 1.18956871e-03 2.86228246e-04] [-3.15903098e-04 4.04964861e-05 3.50960581e-04] [-6.54863724e-04 -2.73160702e-04 -3.11121554e-04] [-6.54863721e-04 2.73160706e-04 3.11121546e-04] [-3.15903098e-04 -4.04964862e-05 -3.50960585e-04]] Final stress: [-1.17743475e-05 2.27225204e-05 2.23768523e-05 4.03876061e-05 -2.28496478e-16 -2.43499430e-14] Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 106 steps. Minimization converged after 107 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.00016092 0.00388301 0.00482623] [ 0.00584665 -0.00196354 -0.00416958] [ 0.00016092 0.00388301 -0.00482623] [-0.00584665 -0.00196354 0.00416958] [-0.00058885 0.00030333 0.00194961] [-0.00349159 0.00269753 -0.00080818] [ 0.00058885 0.00030333 -0.00194961] [ 0.00349159 0.00269753 0.00080818] [-0.0002553 -0.00298626 -0.00517805] [ 0.00026572 -0.00264344 -0.0006278 ] [-0.00026572 -0.00264344 0.0006278 ] [ 0.0002553 -0.00298626 0.00517805] [ 0.00411165 -0.00087742 -0.00091653] [-0.00411165 -0.00087742 0.00091653] [ 0.00010653 -0.0040952 0.00749346] [-0.00010653 -0.0040952 -0.00749346] [-0.00095892 0.00106425 0.00579335] [-0.00203432 -0.002034 0.00083146] [ 0.00095892 0.00106425 -0.00579335] [ 0.00203432 -0.002034 -0.00083146] [-0.00311522 0.00376539 -0.0017532 ] [-0.00415927 0.00288637 0.00190044] [ 0.00311522 0.00376539 0.0017532 ] [ 0.00415927 0.00288637 -0.00190044]] Final stress: [ 8.15597835e-05 -5.60682210e-05 -5.88129121e-05 1.55767413e-13 -1.88041309e-04 5.88356575e-14] Minimization converged after 80 steps. Minimization converged after 100 steps. Minimization converged after 108 steps. Minimization converged after 82 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.0466678 0.099033 0.0919694 ] [-0.0466678 -0.09903301 0.0919694 ] [-0.04666781 0.09903301 -0.0919694 ] [ 0.0466678 -0.09903301 -0.0919694 ] [-0.02195042 0.04217171 0.04858379] [ 0.02195042 -0.0421717 0.04858379] [ 0.02195042 0.0421717 -0.04858379] [-0.02195043 -0.04217169 -0.04858378] [-0.11802383 0.03276366 0.11338348] [-0.11802383 -0.03276366 -0.11338348] [ 0.11802383 -0.03276365 0.11338347] [ 0.11802384 0.03276365 -0.11338346] [-0.04742349 0.10600671 0.03183803] [ 0.04742348 0.10600673 -0.03183803] [-0.04742348 -0.10600672 -0.03183803] [ 0.04742349 -0.10600671 0.03183802] [-0.11786146 0.0264767 -0.03772449] [ 0.11786146 -0.0264767 -0.03772451] [ 0.11786145 0.02647669 0.0377245 ] [-0.11786146 -0.02647669 0.03772449] [-0.099364 0.01391277 -0.04809119] [ 0.099364 -0.01391277 -0.04809118] [ 0.099364 0.01391277 0.04809119] [-0.099364 -0.01391278 0.04809119]] Final stress: [ 4.31317265e-04 -8.34128196e-05 9.48451935e-04 -1.64682014e-11 -1.47639716e-12 -1.97811663e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.89154680e-04 -1.03841608e-04 -1.97911377e-04] [ 1.89154698e-04 1.03841627e-04 -1.97911398e-04] [ 1.89154705e-04 -1.03841639e-04 1.97911403e-04] [-1.89154708e-04 1.03841635e-04 1.97911402e-04] [ 1.34536629e-04 -2.01993661e-04 -1.16947700e-04] [-1.34536637e-04 2.01993647e-04 -1.16947722e-04] [-1.34536683e-04 -2.01993575e-04 1.16947657e-04] [ 1.34536653e-04 2.01993628e-04 1.16947698e-04] [ 3.83548056e-04 6.47340122e-05 -5.97171802e-04] [ 3.83548038e-04 -6.47340231e-05 5.97171784e-04] [-3.83548087e-04 -6.47340444e-05 -5.97171752e-04] [-3.83548068e-04 6.47340434e-05 5.97171763e-04] [ 1.84579098e-04 -2.58541226e-04 4.55877760e-04] [-1.84579116e-04 -2.58541250e-04 -4.55877768e-04] [ 1.84579151e-04 2.58541204e-04 -4.55877792e-04] [-1.84579142e-04 2.58541219e-04 4.55877790e-04] [ 5.57590431e-04 -3.72487359e-04 2.81714260e-05] [-5.57590426e-04 3.72487376e-04 2.81714209e-05] [-5.57590392e-04 -3.72487323e-04 -2.81714231e-05] [ 5.57590437e-04 3.72487329e-04 -2.81713831e-05] [ 3.61231996e-04 -2.16503448e-04 1.98541865e-04] [-3.61231948e-04 2.16503387e-04 1.98541899e-04] [-3.61232026e-04 -2.16503414e-04 -1.98541847e-04] [ 3.61232022e-04 2.16503463e-04 -1.98541905e-04]] Final stress: [-6.92854059e-07 5.06866585e-07 -5.28766526e-07 3.40053102e-14 5.60664285e-14 6.41068120e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.99330463e-04 5.49053541e-04 1.69738232e-03] [-3.99330394e-04 -5.49053430e-04 1.69738227e-03] [-3.99330303e-04 5.49053372e-04 -1.69738221e-03] [ 3.99330275e-04 -5.49053349e-04 -1.69738217e-03] [-2.39169270e-03 -1.72808197e-03 4.83777852e-03] [ 2.39169264e-03 1.72808182e-03 4.83777867e-03] [ 2.39169252e-03 -1.72808182e-03 -4.83777846e-03] [-2.39169240e-03 1.72808152e-03 -4.83777887e-03] [-2.00297656e-03 -6.48064468e-05 5.53242921e-03] [-2.00297695e-03 6.48065527e-05 -5.53242890e-03] [ 2.00297664e-03 6.48065826e-05 5.53242907e-03] [ 2.00297729e-03 -6.48069409e-05 -5.53242849e-03] [ 5.09045621e-04 -8.65392952e-04 1.32851047e-04] [-5.09045845e-04 -8.65392723e-04 -1.32851075e-04] [ 5.09045991e-04 8.65392676e-04 -1.32851143e-04] [-5.09045580e-04 8.65392676e-04 1.32850936e-04] [-4.40209200e-03 -1.16812533e-04 3.66973369e-03] [ 4.40209182e-03 1.16812451e-04 3.66973398e-03] [ 4.40209207e-03 -1.16812267e-04 -3.66973378e-03] [-4.40209230e-03 1.16812699e-04 -3.66973420e-03] [-3.81538888e-03 -5.34474617e-04 2.82526303e-03] [ 3.81538870e-03 5.34475139e-04 2.82526296e-03] [ 3.81538807e-03 -5.34475047e-04 -2.82526323e-03] [-3.81538819e-03 5.34475064e-04 -2.82526316e-03]] Final stress: [ 4.54342339e-05 -2.00129559e-05 -2.09010881e-05 -3.22700061e-13 -2.41018254e-13 6.69371890e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.49414052e-04 2.22522562e-04 -4.90829924e-04] [-2.49414068e-04 -2.22522578e-04 -4.90829904e-04] [-2.49414065e-04 2.22522578e-04 4.90829907e-04] [ 2.49414061e-04 -2.22522571e-04 4.90829915e-04] [ 3.45631456e-04 -2.61549543e-04 -1.97303937e-04] [-3.45631456e-04 2.61549543e-04 -1.97303914e-04] [-3.45631446e-04 -2.61549564e-04 1.97303933e-04] [ 3.45631455e-04 2.61549547e-04 1.97303920e-04] [ 3.81212101e-05 -4.57594251e-04 -1.71841769e-05] [ 3.81212056e-05 4.57594258e-04 1.71841893e-05] [-3.81211789e-05 4.57594283e-04 -1.71842269e-05] [-3.81211740e-05 -4.57594285e-04 1.71842246e-05] [ 4.41284716e-04 -5.16393923e-05 2.34891936e-04] [-4.41284729e-04 -5.16393569e-05 -2.34891943e-04] [ 4.41284721e-04 5.16393833e-05 -2.34891936e-04] [-4.41284683e-04 5.16393918e-05 2.34891911e-04] [ 2.47423445e-04 9.70566414e-05 -1.74325966e-04] [-2.47423459e-04 -9.70566614e-05 -1.74325987e-04] [-2.47423479e-04 9.70566297e-05 1.74326006e-04] [ 2.47423443e-04 -9.70566202e-05 1.74325956e-04] [-7.12010176e-04 2.56772676e-04 3.29691034e-04] [ 7.12010149e-04 -2.56772633e-04 3.29691020e-04] [ 7.12010150e-04 2.56772646e-04 -3.29691038e-04] [-7.12010150e-04 -2.56772683e-04 -3.29690998e-04]] Final stress: [-4.39238149e-06 -7.23465809e-06 -1.62633237e-06 -4.72962143e-14 -3.49787981e-14 -3.45640053e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.87797122e-04 -2.23794018e-04 4.75591203e-04] [ 2.87797118e-04 2.23794016e-04 4.75591207e-04] [ 2.87797120e-04 -2.23794017e-04 -4.75591206e-04] [-2.87797120e-04 2.23794018e-04 -4.75591204e-04] [-1.98049095e-04 4.90021330e-04 1.89662604e-05] [ 1.98049092e-04 -4.90021339e-04 1.89662702e-05] [ 1.98049087e-04 4.90021341e-04 -1.89662758e-05] [-1.98049089e-04 -4.90021335e-04 -1.89662738e-05] [-2.22434564e-04 5.08368137e-04 1.44911223e-04] [-2.22434566e-04 -5.08368138e-04 -1.44911225e-04] [ 2.22434564e-04 -5.08368137e-04 1.44911220e-04] [ 2.22434576e-04 5.08368135e-04 -1.44911219e-04] [-4.51158188e-04 -3.21927574e-05 -1.76429461e-04] [ 4.51158190e-04 -3.21927584e-05 1.76429463e-04] [-4.51158179e-04 3.21927495e-05 1.76429454e-04] [ 4.51158224e-04 3.21927808e-05 -1.76429482e-04] [-4.44070529e-05 -1.79471240e-04 3.71819733e-04] [ 4.44070522e-05 1.79471242e-04 3.71819723e-04] [ 4.44070400e-05 -1.79471256e-04 -3.71819707e-04] [-4.44070625e-05 1.79471245e-04 -3.71819728e-04] [ 5.26533219e-04 -2.90604846e-04 -3.56756462e-04] [-5.26533241e-04 2.90604837e-04 -3.56756474e-04] [-5.26533251e-04 -2.90604834e-04 3.56756481e-04] [ 5.26533249e-04 2.90604842e-04 3.56756479e-04]] Final stress: [-4.61599488e-06 -1.14497201e-06 -8.15486432e-06 9.89308603e-15 -1.99482956e-14 -1.15782429e-14] Minimization converged after 9 steps. Minimization converged after 99 steps. Minimization converged after 104 steps. Minimization converged after 84 steps. Minimization converged after 85 steps. Minimization converged after 107 steps. Minimization converged after 104 steps. Minimization converged after 105 steps. Minimization converged after 101 steps. Minimization converged after 107 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 0.03399407 0.01054418 0.02506992] [-0.03399407 -0.01054418 0.02506992] [ 0.0281584 -0.0340459 0.00446721] [-0.0281584 0.0340459 0.00446721] [-0.01798229 0.00854183 -0.00121821] [ 0.01798229 -0.00854183 -0.00121821] [ 0.03504297 -0.00072445 -0.0351857 ] [-0.03504297 0.00072445 -0.0351857 ] [ 0.02272324 -0.00418598 -0.00741057] [ 0.0031878 -0.01579617 0.01566037] [-0.02272324 0.00418598 -0.00741057] [-0.0031878 0.01579617 0.01566037] [-0.03196505 0.00049068 -0.02427458] [ 0.00231936 0.01565011 -0.0116975 ] [-0.00231936 -0.01565012 -0.0116975 ] [ 0.03196505 -0.00049068 -0.02427458] [ 0.02958636 -0.00706987 0.00242269] [-0.02958636 0.00706987 0.00242269] [ 0.00059998 0.00648509 -0.00742946] [-0.00059998 -0.00648509 -0.00742946] [-0.01157481 -0.01412769 0.02798795] [ 0.01157481 0.01412769 0.02798795] [-0.03230249 0.03441114 0.0116079 ] [ 0.03230249 -0.03441114 0.01160789]] Final stress: [ 3.20086441e-04 8.80628297e-04 2.94070537e-04 1.91163333e-13 2.70320783e-12 -7.03031651e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-3.56805768e-04 -5.03761490e-04 2.74759419e-04] [ 3.56805770e-04 5.03761493e-04 2.74759417e-04] [-5.08531974e-04 -8.91381927e-05 -4.05413141e-04] [ 5.08531978e-04 8.91381878e-05 -4.05413147e-04] [-7.47901276e-04 -5.33532667e-05 3.82157069e-04] [ 7.47901275e-04 5.33532653e-05 3.82157067e-04] [ 7.61386219e-05 4.35961186e-04 1.32111190e-04] [-7.61386220e-05 -4.35961184e-04 1.32111183e-04] [-2.80860773e-05 3.19542996e-04 -3.32508594e-04] [ 1.37945833e-04 7.68224358e-05 -8.32091831e-06] [ 2.80860682e-05 -3.19543004e-04 -3.32508582e-04] [-1.37945841e-04 -7.68224277e-05 -8.32093319e-06] [ 6.69066219e-05 -7.13505932e-05 2.11133007e-04] [ 4.15503503e-04 1.47813059e-05 2.00475180e-04] [-4.15503508e-04 -1.47813072e-05 2.00475186e-04] [-6.69066165e-05 7.13506009e-05 2.11133003e-04] [ 1.85095054e-05 2.38203352e-04 2.70593850e-04] [-1.85094969e-05 -2.38203351e-04 2.70593866e-04] [-6.68146837e-04 -3.45401801e-05 -1.17227063e-04] [ 6.68146839e-04 3.45401734e-05 -1.17227053e-04] [ 1.00438871e-04 3.52390822e-04 -2.94390998e-04] [-1.00438874e-04 -3.52390832e-04 -2.94391013e-04] [ 1.46474695e-04 -3.72257359e-04 -3.13368997e-04] [-1.46474691e-04 3.72257370e-04 -3.13368998e-04]] Final stress: [-9.15478234e-06 3.09759846e-06 -9.12054057e-06 1.73946483e-14 -5.36435541e-15 1.56702822e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.08975783 0.04565608 0.09806135] [-0.08975783 -0.04565608 0.09806135] [-0.08975783 0.04565608 -0.09806135] [ 0.08975783 -0.04565608 -0.09806135] [ 0.03183083 -0.04626208 0.10386571] [-0.03183083 0.04626207 0.10386572] [-0.03183084 -0.04626207 -0.10386572] [ 0.03183082 0.04626209 -0.1038657 ] [ 0.04652306 -0.02086665 0.04169025] [ 0.04652306 0.02086666 -0.04169024] [-0.04652307 0.02086665 0.04169025] [-0.04652305 -0.02086666 -0.04169023] [ 0.11147205 -0.11639719 0.03265356] [-0.11147205 -0.1163972 -0.03265355] [ 0.11147205 0.11639719 -0.03265355] [-0.11147204 0.1163972 0.03265355] [-0.03643155 -0.11471191 0.02635332] [ 0.03643156 0.1147119 0.02635331] [ 0.03643155 -0.11471191 -0.02635332] [-0.03643157 0.1147119 -0.02635333] [-0.04749393 -0.0987447 0.01268618] [ 0.04749393 0.09874468 0.01268618] [ 0.04749393 -0.09874469 -0.01268619] [-0.04749393 0.09874469 -0.01268619]] Final stress: [ 8.80072218e-04 3.84606647e-04 -1.21473864e-04 -2.37057028e-12 -5.13700098e-12 4.22499566e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.97965976e-04 -1.89172713e-04 -1.03938500e-04] [ 1.97965987e-04 1.89172725e-04 -1.03938515e-04] [ 1.97965995e-04 -1.89172733e-04 1.03938520e-04] [-1.97965989e-04 1.89172724e-04 1.03938511e-04] [ 4.55813286e-04 1.84622221e-04 -2.58567055e-04] [-4.55813288e-04 -1.84622227e-04 -2.58567067e-04] [-4.55813311e-04 1.84622256e-04 2.58567042e-04] [ 4.55813312e-04 -1.84622255e-04 2.58567038e-04] [-1.16939440e-04 1.34523326e-04 -2.02037013e-04] [-1.16939471e-04 -1.34523319e-04 2.02037023e-04] [ 1.16939414e-04 -1.34523357e-04 -2.02036963e-04] [ 1.16939442e-04 1.34523342e-04 2.02036988e-04] [-5.97218176e-04 3.83617145e-04 6.46905208e-05] [ 5.97218152e-04 3.83617140e-04 -6.46905331e-05] [-5.97218144e-04 -3.83617160e-04 -6.46905364e-05] [ 5.97218165e-04 -3.83617138e-04 6.46905296e-05] [ 2.82276622e-05 5.57591923e-04 -3.72408405e-04] [-2.82276523e-05 -5.57591902e-04 -3.72408370e-04] [-2.82276281e-05 5.57591917e-04 3.72408377e-04] [ 2.82276525e-05 -5.57591926e-04 3.72408410e-04] [ 1.98536908e-04 3.61311080e-04 -2.16479183e-04] [-1.98536898e-04 -3.61311109e-04 -2.16479190e-04] [-1.98536953e-04 3.61311095e-04 2.16479203e-04] [ 1.98536950e-04 -3.61311056e-04 2.16479168e-04]] Final stress: [-5.28352612e-07 -6.92462406e-07 5.07108780e-07 5.47411596e-14 8.36623976e-15 5.31409920e-14] Minimization converged after 102 steps. Minimization converged after 108 steps. Minimization converged after 81 steps. Minimization converged after 84 steps. Minimization converged after 110 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.64141677e-03 2.81356146e-04 2.30529943e-04] [-7.18888333e-04 -2.96029043e-04 -2.24729260e-03] [-1.64141678e-03 2.81356152e-04 -2.30529950e-04] [ 7.18888328e-04 -2.96029038e-04 2.24729261e-03] [-5.83852382e-04 2.96182717e-04 1.15916816e-04] [-7.25719244e-04 1.07537840e-03 -1.98323894e-04] [ 5.83852402e-04 2.96182680e-04 -1.15916793e-04] [ 7.25719242e-04 1.07537840e-03 1.98323891e-04] [ 6.90707574e-04 -1.96937573e-03 5.89584689e-05] [ 4.61729631e-05 9.65425049e-04 -1.16980271e-03] [-4.61729481e-05 9.65425059e-04 1.16980270e-03] [-6.90707558e-04 -1.96937575e-03 -5.89584402e-05] [ 2.68628863e-04 -5.97524489e-04 1.50409814e-03] [-2.68628875e-04 -5.97524461e-04 -1.50409815e-03] [-1.25936572e-03 -7.74408595e-04 8.19351839e-04] [ 1.25936572e-03 -7.74408592e-04 -8.19351840e-04] [ 1.37396574e-04 5.57319978e-04 1.42559092e-03] [-1.05544937e-03 -1.18219826e-03 -7.22331821e-04] [-1.37396582e-04 5.57319961e-04 -1.42559093e-03] [ 1.05544937e-03 -1.18219823e-03 7.22331807e-04] [-8.24822011e-04 8.93246137e-04 -4.24646913e-05] [-7.89670179e-04 7.50627720e-04 1.11886792e-05] [ 8.24822014e-04 8.93246131e-04 4.24646817e-05] [ 7.89670166e-04 7.50627676e-04 -1.11886798e-05]] Final stress: [-3.00473913e-05 -2.99573590e-05 2.24669719e-05 -2.59752445e-14 -6.45122462e-05 -3.05291473e-14] Minimization converged after 83 steps. Minimization converged after 104 steps. Minimization converged after 107 steps. Minimization converged after 97 steps. Minimization converged after 104 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.18314847e-03 2.02800207e-03 1.72189267e-03] [-1.18314839e-03 -2.02800198e-03 1.72189256e-03] [-1.18314842e-03 2.02800197e-03 -1.72189260e-03] [ 1.18314830e-03 -2.02800190e-03 -1.72189249e-03] [ 2.81850002e-05 4.85074993e-03 -3.57758675e-03] [-2.81850550e-05 -4.85075004e-03 -3.57758696e-03] [-2.81853554e-05 4.85075059e-03 3.57758640e-03] [ 2.81849815e-05 -4.85074997e-03 3.57758698e-03] [ 2.92387608e-03 -2.92421525e-03 -1.48913043e-03] [ 2.92387648e-03 2.92421493e-03 1.48912983e-03] [-2.92387658e-03 2.92421484e-03 -1.48912979e-03] [-2.92387659e-03 -2.92421483e-03 1.48912984e-03] [ 2.20992406e-03 1.50396064e-03 -9.67835406e-04] [-2.20992382e-03 1.50396018e-03 9.67835565e-04] [ 2.20992403e-03 -1.50396057e-03 9.67835334e-04] [-2.20992433e-03 -1.50396065e-03 -9.67835183e-04] [ 3.41388217e-03 -5.70651555e-04 -5.16216744e-03] [-3.41388182e-03 5.70651689e-04 -5.16216766e-03] [-3.41388190e-03 -5.70651183e-04 5.16216761e-03] [ 3.41388215e-03 5.70651155e-04 5.16216780e-03] [ 2.15641346e-03 -1.19871129e-03 -3.96153098e-03] [-2.15641308e-03 1.19871075e-03 -3.96153054e-03] [-2.15641307e-03 -1.19871094e-03 3.96153119e-03] [ 2.15641323e-03 1.19871140e-03 3.96153045e-03]] Final stress: [-5.67126383e-05 -1.53865953e-06 -2.85049129e-06 2.38205873e-13 3.46115850e-13 3.65452744e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-0.00274781 -0.00596929 -0.00567664] [ 0.00274781 0.00596929 -0.00567664] [ 0.00274781 -0.00596929 0.00567664] [-0.00274781 0.00596929 0.00567664] [ 0.00062973 -0.01344996 0.01059745] [-0.00062974 0.01344995 0.01059745] [-0.00062974 -0.01344995 -0.01059745] [ 0.00062974 0.01344995 -0.01059745] [-0.00770049 0.00979857 0.00414003] [-0.00770049 -0.00979857 -0.00414004] [ 0.00770049 -0.00979857 0.00414004] [ 0.00770049 0.00979857 -0.00414004] [-0.00542738 -0.00241323 0.00289556] [ 0.00542738 -0.00241323 -0.00289557] [-0.00542738 0.00241322 -0.00289557] [ 0.00542738 0.00241322 0.00289557] [-0.01006953 0.00218946 0.01483008] [ 0.01006953 -0.00218945 0.01483008] [ 0.01006953 0.00218946 -0.01483008] [-0.01006952 -0.00218945 -0.01483007] [-0.00578899 0.0031672 0.01159515] [ 0.00578899 -0.0031672 0.01159515] [ 0.00578899 0.0031672 -0.01159515] [-0.00578898 -0.0031672 -0.01159515]] Final stress: [2.06264484e-04 5.31439545e-05 4.76526595e-05 2.79478196e-12 4.75475538e-12 2.49655884e-12] Minimization converged after 8 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 8 steps. Minimization converged after 100 steps. Minimization converged after 102 steps. Minimization converged after 108 steps. Minimization converged after 101 steps. Minimization converged after 102 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-5.43463958e-04 1.77595158e-03 2.26249480e-03] [ 2.49997897e-03 -1.54334678e-03 -1.63104715e-03] [ 5.43463944e-04 1.77595160e-03 -2.26249482e-03] [-2.49997898e-03 -1.54334677e-03 1.63104717e-03] [-3.22031157e-04 3.29234292e-04 2.40390550e-04] [-1.67748455e-03 1.44058717e-03 -2.34511659e-04] [ 3.22031152e-04 3.29234293e-04 -2.40390570e-04] [ 1.67748455e-03 1.44058717e-03 2.34511688e-04] [ 2.94166414e-04 -9.08580133e-04 -1.77898068e-03] [-2.64719311e-04 -1.01917733e-03 -2.59107534e-04] [ 2.64719327e-04 -1.01917732e-03 2.59107515e-04] [-2.94166374e-04 -9.08580146e-04 1.77898072e-03] [ 1.85259637e-03 -4.80430322e-04 -5.46519164e-04] [-1.85259641e-03 -4.80430284e-04 5.46519143e-04] [ 2.45562955e-04 -1.55912393e-03 3.92526000e-03] [-2.45562936e-04 -1.55912392e-03 -3.92526001e-03] [-3.82358878e-04 4.35057680e-04 2.42721417e-03] [-1.15271373e-03 -9.78819613e-04 9.25705553e-05] [ 3.82358851e-04 4.35057666e-04 -2.42721412e-03] [ 1.15271371e-03 -9.78819585e-04 -9.25705956e-05] [-9.11810798e-04 1.32844106e-03 -2.35624701e-04] [-1.16595578e-03 1.18020630e-03 3.28111569e-04] [ 9.11810793e-04 1.32844104e-03 2.35624676e-04] [ 1.16595583e-03 1.18020627e-03 -3.28111550e-04]] Final stress: [ 3.73792941e-05 -4.03689397e-05 -4.12233654e-05 2.58972872e-14 -9.90054291e-05 -4.02483643e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-3.01740158e-02 -1.97061257e-03 -2.37668587e-02] [-7.35846697e-03 -1.94585945e-02 2.76088148e-02] [ 3.01740154e-02 -1.97061207e-03 2.37668583e-02] [ 7.35846743e-03 -1.94585950e-02 -2.76088152e-02] [ 1.37535516e-02 -1.46988204e-02 1.39251139e-03] [ 1.08935518e-03 3.95244066e-03 1.78528562e-02] [-1.37535506e-02 -1.46988219e-02 -1.39251027e-03] [-1.08935642e-03 3.95244246e-03 -1.78528551e-02] [ 1.39343771e-02 9.28216316e-03 -3.85139299e-03] [ 1.74481947e-03 1.49420940e-02 1.95586187e-02] [-1.74481890e-03 1.49420939e-02 -1.95586185e-02] [-1.39343778e-02 9.28216296e-03 3.85139307e-03] [ 7.50855789e-04 2.64574598e-02 -3.18068751e-02] [-7.50855687e-04 2.64574603e-02 3.18068750e-02] [ 6.42481175e-03 7.36082485e-04 1.53562789e-02] [-6.42481300e-03 7.36081952e-04 -1.53562782e-02] [ 5.73177138e-03 5.39255238e-03 -3.89887390e-03] [ 7.18301162e-03 -4.75757192e-05 2.31446267e-02] [-5.73177160e-03 5.39255172e-03 3.89887283e-03] [-7.18301110e-03 -4.75741226e-05 -2.31446275e-02] [ 2.50717696e-02 -5.47529473e-03 2.40231341e-02] [ 9.58938721e-03 -1.91118949e-02 -3.85802885e-03] [-2.50717673e-02 -5.47529417e-03 -2.40231345e-02] [-9.58938842e-03 -1.91118957e-02 3.85802864e-03]] Final stress: [ 8.07829060e-04 2.17701493e-04 2.40619305e-04 -1.55901782e-13 6.54055138e-04 -1.56220686e-12] Minimization converged after 98 steps. Minimization converged after 97 steps. Minimization converged after 80 steps. Minimization converged after 84 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00220799 0.0015003 0.00256835] [-0.00220799 -0.0015003 0.00256835] [-0.00220799 0.0015003 -0.00256835] [ 0.00220799 -0.0015003 -0.00256835] [-0.00134407 0.00273204 0.00184656] [ 0.00134407 -0.00273204 0.00184656] [ 0.00134407 0.00273204 -0.00184656] [-0.00134407 -0.00273204 -0.00184656] [-0.00443389 -0.00015468 0.00607172] [-0.00443389 0.00015468 -0.00607172] [ 0.00443389 0.00015468 0.00607172] [ 0.00443389 -0.00015468 -0.00607172] [-0.00179454 0.00360364 -0.00382969] [ 0.00179454 0.00360364 0.00382969] [-0.00179454 -0.00360364 0.00382969] [ 0.00179454 -0.00360364 -0.00382969] [-0.00654157 0.00406094 -0.00081058] [ 0.00654157 -0.00406094 -0.00081058] [ 0.00654157 0.00406094 0.00081058] [-0.00654157 -0.00406094 0.00081058] [-0.00465693 0.00282182 -0.00135357] [ 0.00465693 -0.00282182 -0.00135357] [ 0.00465693 0.00282182 0.00135357] [-0.00465693 -0.00282182 0.00135357]] Final stress: [-5.68875835e-06 -7.33727678e-05 -3.96402523e-06 -1.60046613e-13 2.23896373e-13 1.30595675e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-0.00338329 -0.00155114 -0.00351404] [ 0.00338329 0.00155115 -0.00351404] [ 0.00338329 -0.00155114 0.00351404] [-0.00338329 0.00155114 0.00351404] [ 0.00174347 -0.00323895 -0.0016088 ] [-0.00174347 0.00323894 -0.0016088 ] [-0.00174347 -0.00323894 0.0016088 ] [ 0.00174347 0.00323895 0.0016088 ] [ 0.00630439 0.00046028 -0.00819612] [ 0.00630439 -0.00046028 0.00819612] [-0.00630439 -0.00046028 -0.00819611] [-0.00630439 0.00046028 0.00819611] [ 0.00251808 -0.00460359 0.00609032] [-0.00251808 -0.00460359 -0.00609032] [ 0.00251808 0.00460359 -0.00609032] [-0.00251808 0.00460359 0.00609032] [ 0.00903148 -0.00602486 0.0012762 ] [-0.00903148 0.00602486 0.0012762 ] [-0.00903148 -0.00602486 -0.00127621] [ 0.00903149 0.00602486 -0.0012762 ] [ 0.00685472 -0.00351435 0.0019335 ] [-0.00685472 0.00351435 0.0019335 ] [-0.00685472 -0.00351435 -0.0019335 ] [ 0.00685472 0.00351435 -0.0019335 ]] Final stress: [ 2.33390147e-05 1.18603259e-04 2.60754772e-05 1.33976105e-12 1.98491942e-12 -9.35438886e-13] Minimization converged after 8 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 8 steps. Minimization converged after 101 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 8.65585734e-05 2.03705372e-04 2.28127381e-03] [-4.96022114e-04 3.01134682e-03 9.85733963e-04] [-4.96022110e-04 -3.01134683e-03 -9.85733957e-04] [ 8.65585689e-05 -2.03705359e-04 -2.28127380e-03] [-3.03919245e-03 -8.70177578e-05 9.70611403e-04] [ 1.08783891e-03 -2.09856300e-03 2.15782120e-04] [ 1.08783889e-03 2.09856305e-03 -2.15782138e-04] [-3.03919240e-03 8.70176848e-05 -9.70611445e-04] [-9.18710901e-04 2.28685521e-03 4.06958918e-04] [-9.18710909e-04 -2.28685522e-03 -4.06958929e-04] [-8.35713550e-04 1.23909781e-03 -1.41197424e-03] [-8.35713536e-04 -1.23909780e-03 1.41197424e-03] [ 1.65138629e-04 2.03914680e-04 -8.90017093e-04] [ 1.68407356e-03 -2.07949310e-04 -1.03006046e-03] [ 1.65138639e-04 -2.03914677e-04 8.90017089e-04] [ 1.68407356e-03 2.07949308e-04 1.03006047e-03] [ 9.00822610e-04 1.28922708e-03 -5.51534221e-06] [-1.34614306e-03 6.35937400e-04 1.43906351e-03] [-1.34614303e-03 -6.35937338e-04 -1.43906349e-03] [ 9.00822590e-04 -1.28922710e-03 5.51534608e-06] [ 1.36648679e-03 1.16203069e-04 -7.12885494e-04] [ 1.34486298e-03 -1.45966314e-04 8.58191862e-04] [ 1.34486295e-03 1.45966280e-04 -8.58191840e-04] [ 1.36648682e-03 -1.16203060e-04 7.12885507e-04]] Final stress: [-3.84721000e-05 3.56743224e-05 -3.85496685e-05 -9.20206688e-05 -8.76733452e-14 1.11446157e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 5.04659374e-04 -3.03251996e-03 1.00179180e-03] [-8.20221262e-05 -2.05128388e-04 2.26752336e-03] [-8.20221179e-05 2.05128373e-04 -2.26752336e-03] [ 5.04659347e-04 3.03251999e-03 -1.00179178e-03] [-1.10870889e-03 2.10088953e-03 1.93917766e-04] [ 3.02399333e-03 9.38722663e-05 9.75705287e-04] [ 3.02399329e-03 -9.38721957e-05 -9.75705336e-04] [-1.10870882e-03 -2.10088963e-03 -1.93917816e-04] [ 8.17826015e-04 -1.24673810e-03 -1.43853273e-03] [ 8.17825989e-04 1.24673808e-03 1.43853272e-03] [ 9.03773054e-04 -2.29265440e-03 3.99782230e-04] [ 9.03773058e-04 2.29265443e-03 -3.99782259e-04] [-1.66555951e-03 -2.03547510e-04 1.05110554e-03] [-1.85068985e-04 2.01766067e-04 8.85104489e-04] [-1.66555948e-03 2.03547524e-04 -1.05110555e-03] [-1.85069035e-04 -2.01766136e-04 -8.85104451e-04] [ 1.36060191e-03 -6.52727900e-04 1.44167303e-03] [-8.82223474e-04 -1.30110158e-03 -2.15575080e-05] [-8.82223403e-04 1.30110171e-03 2.15575403e-05] [ 1.36060192e-03 6.52727836e-04 -1.44167298e-03] [-1.32756319e-03 1.40690269e-04 8.69758908e-04] [-1.35970753e-03 -1.19293004e-04 -6.91489820e-04] [-1.35970759e-03 1.19292962e-04 6.91489839e-04] [-1.32756314e-03 -1.40690223e-04 -8.69758920e-04]] Final stress: [-3.87861634e-05 3.61202419e-05 -3.88707065e-05 9.29150084e-05 -2.45951091e-15 9.38400686e-14] Minimization converged after 102 steps. Minimization converged after 102 steps. Minimization converged after 99 steps. Minimization converged after 101 steps. Minimization converged after 108 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 2.29322156e-03 -5.57950496e-04 1.80719912e-03] [-2.29322158e-03 5.57950472e-04 1.80719914e-03] [ 1.60501787e-03 -2.47376696e-03 -1.56539164e-03] [-1.60501787e-03 2.47376697e-03 -1.56539164e-03] [-5.95704716e-04 1.81643135e-03 -4.99052508e-04] [ 5.95704695e-04 -1.81643136e-03 -4.99052492e-04] [ 3.93753469e-03 2.28555647e-04 -1.58436522e-03] [-3.93753468e-03 -2.28555653e-04 -1.58436519e-03] [ 2.39980926e-04 -3.25167701e-04 3.12397628e-04] [-1.93210686e-04 -1.65847567e-03 1.48405838e-03] [-2.39980899e-04 3.25167743e-04 3.12397577e-04] [ 1.93210709e-04 1.65847564e-03 1.48405846e-03] [-1.69505323e-03 3.34164054e-04 -8.61382182e-04] [-2.22147788e-04 -2.69365356e-04 -9.78647201e-04] [ 2.22147822e-04 2.69365374e-04 -9.78647232e-04] [ 1.69505324e-03 -3.34164042e-04 -8.61382183e-04] [ 2.47382951e-03 -3.51238347e-04 4.23729443e-04] [-2.47382953e-03 3.51238331e-04 4.23729369e-04] [-1.29085248e-05 1.16106346e-03 -1.00314655e-03] [ 1.29085219e-05 -1.16106345e-03 -1.00314659e-03] [-1.66452163e-04 -8.98146575e-04 1.29610386e-03] [ 1.66452151e-04 8.98146621e-04 1.29610392e-03] [-3.23674082e-04 1.14072167e-03 1.16849686e-03] [ 3.23674063e-04 -1.14072171e-03 1.16849687e-03]] Final stress: [-4.12435231e-05 3.82035947e-05 -4.03735656e-05 -1.18966095e-13 3.69893582e-14 -9.96387531e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.01013659 -0.01477496 0.00287706] [ 0.01013659 0.01477496 0.00287706] [-0.01388939 0.00113915 -0.01186423] [ 0.01388939 -0.00113915 -0.01186423] [-0.01825874 0.00080796 0.01379699] [ 0.01825874 -0.00080796 0.01379699] [ 0.00708677 0.00601594 0.00198312] [-0.00708677 -0.00601594 0.00198312] [ 0.00107587 0.00746881 -0.0082352 ] [ 0.00662655 0.00108039 0.00070869] [-0.00107587 -0.00746881 -0.0082352 ] [-0.00662655 -0.00108039 0.00070869] [-0.00151985 0.00412191 0.00460308] [ 0.01037038 0.00043679 0.00767199] [-0.01037038 -0.00043679 0.00767199] [ 0.00151985 -0.00412191 0.00460308] [-0.00131188 0.00346408 0.00432245] [ 0.00131188 -0.00346408 0.00432245] [-0.01436434 -0.0012834 -0.00124535] [ 0.01436434 0.0012834 -0.00124535] [ 0.00845527 0.01129037 -0.00508275] [-0.00845527 -0.01129037 -0.00508275] [ 0.00123911 -0.00496973 -0.00953584] [-0.00123911 0.00496973 -0.00953584]] Final stress: [-3.14229053e-05 3.25665329e-04 -2.19278566e-05 1.05187167e-12 -1.76149905e-13 4.36243482e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.0025016 0.00214748 0.00146665] [-0.0025016 -0.00214748 0.00146665] [-0.0025016 0.00214748 -0.00146665] [ 0.0025016 -0.00214748 -0.00146665] [-0.0037042 -0.00176055 0.00349893] [ 0.0037042 0.00176054 0.00349893] [ 0.0037042 -0.00176054 -0.00349893] [-0.0037042 0.00176054 -0.00349893] [ 0.00180701 -0.00129798 0.00266302] [ 0.00180701 0.00129798 -0.00266302] [-0.00180701 0.00129798 0.00266302] [-0.00180701 -0.00129798 -0.00266302] [ 0.00590937 -0.00432263 -0.00011712] [-0.00590937 -0.00432263 0.00011712] [ 0.00590937 0.00432263 0.00011712] [-0.00590937 0.00432263 -0.00011712] [-0.00075251 -0.00635704 0.00403111] [ 0.00075251 0.00635704 0.00403111] [ 0.00075251 -0.00635704 -0.00403111] [-0.00075251 0.00635704 -0.00403111] [-0.00135273 -0.00457433 0.00273848] [ 0.00135273 0.00457433 0.00273848] [ 0.00135273 -0.00457433 -0.00273848] [-0.00135273 0.00457433 -0.00273848]] Final stress: [-4.17340095e-06 -5.83935352e-06 -7.23616529e-05 1.23676838e-12 4.76280459e-14 8.75984980e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-0.00573677 -0.00545559 -0.00259971] [ 0.00573677 0.00545559 -0.00259971] [ 0.00573677 -0.00545559 0.00259971] [-0.00573677 0.00545559 0.00259971] [ 0.00946084 0.0040195 -0.00749761] [-0.00946084 -0.0040195 -0.00749762] [-0.00946084 0.0040195 0.00749761] [ 0.00946084 -0.0040195 0.00749762] [-0.00237033 0.00274109 -0.00527025] [-0.00237033 -0.00274109 0.00527025] [ 0.00237033 -0.00274109 -0.00527025] [ 0.00237033 0.00274109 0.00527025] [-0.01306383 0.01027754 0.00055426] [ 0.01306383 0.01027754 -0.00055426] [-0.01306383 -0.01027754 -0.00055426] [ 0.01306383 -0.01027754 0.00055427] [ 0.00212613 0.01439395 -0.00976054] [-0.00212613 -0.01439395 -0.00976055] [-0.00212613 0.01439395 0.00976054] [ 0.00212613 -0.01439395 0.00976054] [ 0.00311809 0.01132723 -0.00555077] [-0.00311809 -0.01132723 -0.00555077] [-0.00311809 0.01132723 0.00555077] [ 0.00311809 -0.01132723 0.00555077]] Final stress: [ 4.86269000e-05 4.33545283e-05 1.96533301e-04 -1.60606156e-12 6.44755299e-13 4.14466636e-12] Minimization converged after 108 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.01946201 0.02985354 0.00914434] [ 0.00398831 0.02807567 -0.03401717] [ 0.00398831 -0.02807567 0.03401717] [ 0.01946201 -0.02985354 -0.00914434] [-0.01589869 -0.02188513 0.00226283] [-0.01124839 0.00341457 0.01544241] [-0.01124839 -0.00341457 -0.01544241] [-0.01589869 0.02188513 -0.00226283] [ 0.00048798 -0.01549318 0.00720819] [ 0.00048798 0.01549318 -0.00720819] [-0.02695217 0.03431665 0.00042163] [-0.02695217 -0.03431665 -0.00042163] [-0.00439762 0.02074902 -0.00114665] [ 0.01530411 -0.00039341 -0.01563843] [-0.00439762 -0.02074902 0.00114665] [ 0.01530411 0.00039341 0.01563843] [-0.00101498 0.0244155 -0.0104434 ] [-0.00595109 0.00335204 0.00712386] [-0.00595109 -0.00335204 -0.00712386] [-0.00101498 -0.0244155 0.0104434 ] [ 0.02127242 -0.00527316 -0.01134275] [ 0.00494811 -0.02760155 0.02835994] [ 0.00494811 0.02760155 -0.02835994] [ 0.02127242 0.00527316 0.01134275]] Final stress: [ 2.66829035e-04 2.94072594e-04 8.94131566e-04 -6.85618637e-04 5.57564824e-13 -8.28012254e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 1.94528744e-03 -3.79399712e-03 -5.60115173e-03] [-4.28900438e-03 -4.85266958e-03 2.60340204e-04] [-4.28900450e-03 4.85266969e-03 -2.60340300e-04] [ 1.94528748e-03 3.79399707e-03 5.60115171e-03] [ 2.46397561e-03 -3.83710622e-05 2.34275284e-04] [ 3.38432582e-03 5.06112457e-03 -8.57156010e-05] [ 3.38432605e-03 -5.06112494e-03 8.57157883e-05] [ 2.46397542e-03 3.83713520e-05 -2.34275102e-04] [ 4.80104212e-03 -7.51283668e-03 -4.27037884e-04] [ 4.80104206e-03 7.51283680e-03 4.27038071e-04] [ 1.00903824e-03 1.16371479e-03 4.04642761e-03] [ 1.00903813e-03 -1.16371483e-03 -4.04642757e-03] [-2.78505600e-03 -4.95120149e-04 3.12314859e-03] [-3.80008925e-04 2.30313931e-03 6.41086890e-04] [-2.78505576e-03 4.95119897e-04 -3.12314875e-03] [-3.80008930e-04 -2.30313920e-03 -6.41086907e-04] [ 2.39707737e-03 4.41404736e-04 2.09526035e-03] [-1.44285374e-03 -6.27170854e-03 -3.89054012e-04] [-1.44285372e-03 6.27170823e-03 3.89053880e-04] [ 2.39707765e-03 -4.41404345e-04 -2.09526041e-03] [-3.52692642e-03 2.06888187e-03 4.64691233e-03] [-3.57689722e-03 1.40309449e-03 -3.58686186e-03] [-3.57689717e-03 -1.40309431e-03 3.58686182e-03] [-3.52692664e-03 -2.06888206e-03 -4.64691241e-03]] Final stress: [-4.88993408e-05 -5.13495417e-05 7.78716085e-05 1.75661628e-04 2.02193323e-13 -6.42455711e-13] Minimization converged after 98 steps. Minimization converged after 99 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 9.63088634e-04 4.78844247e-04 -3.02817470e-03] [-2.28021736e-03 -8.10812391e-05 2.04389551e-04] [-9.63088643e-04 4.78844255e-04 3.02817469e-03] [ 2.28021736e-03 -8.10812323e-05 -2.04389543e-04] [ 1.03238696e-03 -1.68613511e-03 -2.22173088e-04] [ 8.95411115e-04 -1.57076571e-04 1.96221288e-04] [-1.03238695e-03 -1.68613515e-03 2.22173074e-04] [-8.95411126e-04 -1.57076558e-04 -1.96221266e-04] [ 2.18079443e-04 -1.06044214e-03 2.13993060e-03] [ 9.58409398e-04 3.03922601e-03 9.97519109e-05] [-9.58409372e-04 3.03922603e-03 -9.97519507e-05] [-2.18079455e-04 -1.06044215e-03 -2.13993058e-03] [-1.40121858e-03 8.19607935e-04 -1.23806937e-03] [ 1.40121858e-03 8.19607967e-04 1.23806937e-03] [ 4.15473278e-04 9.22456246e-04 -2.29705119e-03] [-4.15473299e-04 9.22456242e-04 2.29705119e-03] [ 1.44481575e-03 1.35161855e-03 -6.16539451e-04] [ 1.86633258e-05 -9.14413249e-04 1.25747106e-03] [-1.44481575e-03 1.35161855e-03 6.16539497e-04] [-1.86633169e-05 -9.14413221e-04 -1.25747109e-03] [ 8.74272214e-04 -1.36163501e-03 1.68751284e-04] [ 7.07967164e-04 -1.35096965e-03 1.00487067e-04] [-8.74272180e-04 -1.36163501e-03 -1.68751311e-04] [-7.07967194e-04 -1.35096972e-03 -1.00487049e-04]] Final stress: [-3.87596481e-05 -3.86848934e-05 3.52772935e-05 -5.83599459e-14 9.20213945e-05 -8.86180838e-14] Minimization converged after 110 steps. Minimization converged after 102 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 4.95257496e-04 -3.50063678e-04 -1.06985738e-03] [-4.95257507e-04 3.50063666e-04 -1.06985737e-03] [-3.33422329e-03 1.34352790e-03 1.26942320e-03] [ 3.33422328e-03 -1.34352788e-03 1.26942322e-03] [-1.80861088e-03 -1.89991043e-03 1.50909270e-03] [ 1.80861089e-03 1.89991046e-03 1.50909272e-03] [-1.00881574e-03 -7.10817176e-04 1.58698533e-03] [ 1.00881575e-03 7.10817159e-04 1.58698531e-03] [ 7.54757116e-04 -1.34667830e-03 1.58374883e-04] [ 1.15423466e-03 3.11992973e-03 -1.82636055e-03] [-7.54757078e-04 1.34667833e-03 1.58374832e-04] [-1.15423463e-03 -3.11992974e-03 -1.82636052e-03] [ 4.19176879e-04 -1.50092230e-05 1.61791443e-03] [ 1.07819259e-03 5.89818773e-04 5.99656966e-04] [-1.07819259e-03 -5.89818752e-04 5.99656978e-04] [-4.19176874e-04 1.50092249e-05 1.61791442e-03] [-4.98922670e-04 1.75194135e-03 1.48684659e-04] [ 4.98922630e-04 -1.75194137e-03 1.48684650e-04] [-2.28228683e-03 8.81433997e-04 -4.68515696e-04] [ 2.28228679e-03 -8.81434030e-04 -4.68515745e-04] [ 1.13653566e-04 1.03374236e-03 -1.58269294e-03] [-1.13653551e-04 -1.03374232e-03 -1.58269294e-03] [ 5.85210297e-04 -8.87072256e-04 -1.94270561e-03] [-5.85210298e-04 8.87072210e-04 -1.94270556e-03]] Final stress: [-2.96418916e-05 -3.08213940e-05 3.32622145e-05 4.57190271e-14 4.42511014e-14 8.31584425e-05] Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 13 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 13 steps. Minimization converged after 12 steps. Minimization converged after 13 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 11 steps. Minimization converged after 12 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 5.53880508e-04 -1.97582468e-04 4.57511261e-04] [-5.53880502e-04 1.97582476e-04 4.57511255e-04] [ 1.65688486e-04 -4.42436147e-04 -7.17356023e-04] [-1.65688478e-04 4.42436138e-04 -7.17356032e-04] [-2.42263758e-04 4.13670280e-04 -2.81013784e-04] [ 2.42263747e-04 -4.13670301e-04 -2.81013766e-04] [ 1.20763073e-03 -4.47521403e-05 -4.51057100e-04] [-1.20763073e-03 4.47521436e-05 -4.51057109e-04] [ 7.65144589e-05 -1.39181063e-05 1.90337772e-04] [-9.09876889e-05 -3.58155740e-04 5.36724694e-04] [-7.65144685e-05 1.39180969e-05 1.90337781e-04] [ 9.09876689e-05 3.58155756e-04 5.36724667e-04] [ 1.37638277e-04 3.69550886e-04 7.96964983e-05] [ 2.36871193e-04 -2.84041367e-04 -1.74882246e-04] [-2.36871191e-04 2.84041356e-04 -1.74882245e-04] [-1.37638272e-04 -3.69550877e-04 7.96964902e-05] [ 9.42423795e-04 -4.10228756e-05 1.36946821e-04] [-9.42423794e-04 4.10228792e-05 1.36946836e-04] [ 4.74378152e-04 4.54710977e-04 -4.08578583e-04] [-4.74378142e-04 -4.54710975e-04 -4.08578585e-04] [ 4.79907956e-04 -2.66122113e-04 9.85292788e-05] [-4.79907951e-04 2.66122095e-04 9.85292509e-05] [ 2.00413276e-04 4.77517752e-05 5.33141431e-04] [-2.00413270e-04 -4.77517466e-05 5.33141437e-04]] Final stress: [-1.44671378e-05 8.73868028e-06 -1.43854826e-05 3.09162063e-14 -1.30247526e-15 -2.50131319e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-0.00835076 -0.01319338 0.00326896] [ 0.00835076 0.01319338 0.00326896] [-0.01098818 -0.00090683 -0.00972307] [ 0.01098818 0.00090683 -0.00972307] [-0.0113487 0.00870402 0.01378234] [ 0.0113487 -0.00870402 0.01378234] [ 0.00334554 0.00791607 0.00038229] [-0.00334554 -0.00791607 0.00038229] [ 0.00185546 0.00614068 -0.00860073] [ 0.00580917 -0.00343009 -0.00555614] [-0.00185546 -0.00614068 -0.00860073] [-0.00580917 0.00343009 -0.00555614] [-0.00943581 -0.00351956 -0.00077283] [ 0.00989445 -0.00220202 0.00759474] [-0.00989445 0.00220202 0.00759474] [ 0.00943581 0.00351956 -0.00077283] [-0.00025038 0.00020745 0.00510668] [ 0.00025038 -0.00020745 0.00510668] [-0.01694979 -0.00630976 0.00474522] [ 0.01694979 0.00630976 0.00474522] [-0.00039535 0.00529398 -0.00134001] [ 0.00039535 -0.00529398 -0.00134001] [ 0.0050068 0.00228547 -0.00888746] [-0.0050068 -0.00228547 -0.00888746]] Final stress: [-1.19225176e-05 2.13524956e-04 1.26159984e-06 -7.27745695e-13 -1.16187542e-12 3.56608230e-04] Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 6.35914482e-04 6.74832014e-04 -7.90688479e-05] [-3.85841983e-04 4.07665425e-04 -6.44986981e-04] [-3.85841983e-04 -4.07665425e-04 6.44986981e-04] [ 6.35914480e-04 -6.74832011e-04 7.90688489e-05] [-2.91740872e-04 -5.39604802e-04 -5.07565676e-05] [-1.49800416e-04 3.21284525e-05 -1.86146320e-05] [-1.49800422e-04 -3.21284450e-05 1.86146263e-05] [-2.91740878e-04 5.39604805e-04 5.07565750e-05] [-3.52262881e-04 -5.55182430e-05 5.05920094e-04] [-3.52262869e-04 5.55182377e-05 -5.05920098e-04] [-5.76828506e-04 1.02875871e-03 2.58141979e-04] [-5.76828488e-04 -1.02875873e-03 -2.58141961e-04] [ 2.77271365e-04 -1.82173702e-04 2.49182872e-06] [ 4.24411137e-04 -1.72913607e-05 -2.98307447e-04] [ 2.77271351e-04 1.82173706e-04 -2.49182115e-06] [ 4.24411124e-04 1.72913413e-05 2.98307457e-04] [ 2.78023542e-04 6.27779955e-04 9.30861861e-05] [-2.35888539e-04 -4.00289375e-04 1.39829683e-04] [-2.35888547e-04 4.00289386e-04 -1.39829685e-04] [ 2.78023520e-04 -6.27779964e-04 -9.30861864e-05] [ 2.74835183e-04 5.92443527e-05 -1.40530248e-04] [ 1.01907505e-04 4.16330098e-04 1.80797609e-04] [ 1.01907516e-04 -4.16330095e-04 -1.80797616e-04] [ 2.74835179e-04 -5.92443391e-05 1.40530223e-04]] Final stress: [-1.67905444e-05 -1.68586653e-05 3.57705150e-06 -2.68448558e-05 5.82649466e-15 -8.43253030e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 0.01023388 -0.01695896 -0.01867468] [-0.01702072 -0.03324569 0.00427711] [-0.01702072 0.0332457 -0.00427711] [ 0.01023388 0.01695896 0.01867468] [-0.00105303 -0.0171812 0.00656701] [ 0.00691907 0.00350343 0.01699306] [ 0.00691907 -0.00350343 -0.01699306] [-0.00105304 0.0171812 -0.00656701] [ 0.03012386 -0.0316101 0.01219214] [ 0.03012386 0.0316101 -0.01219214] [-0.00198945 0.03614118 -0.01142444] [-0.00198945 -0.03614118 0.01142444] [-0.01962045 0.00578938 0.01422794] [ 0.00937298 0.02515838 0.00283268] [-0.01962045 -0.00578938 -0.01422794] [ 0.00937298 -0.02515838 -0.00283268] [ 0.00116244 -0.03247577 0.01086154] [ 0.00953271 -0.03240437 -0.02251522] [ 0.00953271 0.03240437 0.02251522] [ 0.00116245 0.03247577 -0.01086154] [-0.00343842 0.03975455 0.01163705] [-0.02422287 -0.00297847 0.0146517 ] [-0.02422287 0.00297847 -0.0146517 ] [-0.00343842 -0.03975455 -0.01163705]] Final stress: [ 4.54045029e-04 4.73504271e-04 1.17357687e-03 6.19609968e-04 2.25575585e-12 -1.55015034e-12] Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 12 steps. Minimization converged after 10 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 10 steps. Minimization converged after 12 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0.45181 0.19703 0.19918 0.00006 -0.00007 0.00002] [ 0.19703 0.45179 0.19965 0.00008 0.00001 -0.00004] [ 0.19918 0.19965 0.45186 -0.00001 -0.00009 -0.00004] [ 0.00006 0.00008 -0.00001 0.16528 -0. -0. ] [-0.00007 0.00001 -0.00009 -0. 0.16528 0.00002] [ 0.00002 -0.00004 -0.00004 -0. 0.00002 0.16528]] 95%% Error estimate [ASE units]: [[0.21104 0.07799 0.08226 0.00018 0.00008 0.0002 ] [0.07799 0.21214 0.08228 0.00019 0.00004 0.00017] [0.08226 0.08228 0.21201 0.0004 0.00012 0.00017] [0.00018 0.00019 0.0004 0.00014 0. 0. ] [0.00008 0.00004 0.00012 0. 0.00014 0.00001] [0.0002 0.00017 0.00017 0. 0.00001 0.00015]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.106068 is too big compared to maximum elastic constant component 0.451863 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.002625 Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 0 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00083146 -0.00015008 0.00104477] [ 0.00083146 0.00015008 0.00104477] [ 0.00083146 -0.00015008 -0.00104477] [-0.00083146 0.00015008 -0.00104477] [-0.00356355 0.00502451 -0.00219772] [ 0.00356355 -0.00502451 -0.00219772] [ 0.00356355 0.00502451 0.00219772] [-0.00356355 -0.00502451 0.00219772] [ 0.00301916 -0.00632922 0.00107912] [ 0.00301916 0.00632922 -0.00107912] [-0.00301916 0.00632922 0.00107912] [-0.00301916 -0.00632922 -0.00107912] [ 0.00523357 0.00407287 0.00117816] [-0.00523357 0.00407287 -0.00117816] [ 0.00523357 -0.00407287 -0.00117816] [-0.00523357 -0.00407287 0.00117816] [ 0.0039781 0.00461607 -0.00437014] [-0.0039781 -0.00461607 -0.00437014] [-0.0039781 0.00461607 0.00437014] [ 0.0039781 -0.00461607 0.00437014] [ 0.00661973 -0.00267059 -0.00102069] [-0.00661973 0.00267059 -0.00102069] [-0.00661973 -0.00267059 0.00102069] [ 0.00661973 0.00267059 0.00102069]] Final stress: [4.79097846e-04 1.52352229e-04 1.08086953e-04 1.68005164e-16 5.72947294e-15 2.96028928e-15] Minimization converged after 48 steps. Minimization converged after 50 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00356828 0.00850648 -0.00293453] [ 0.00356828 -0.00850648 -0.00293453] [ 0.00356828 0.00850648 0.00293453] [-0.00356828 -0.00850648 0.00293453] [ 0.01005187 0.00660549 0.0031477 ] [-0.01005187 -0.00660549 0.0031477 ] [-0.01005187 0.00660549 -0.0031477 ] [ 0.01005187 -0.00660549 -0.0031477 ] [ 0.00044345 -0.00382648 -0.00620127] [ 0.00044345 0.00382648 0.00620127] [-0.00044345 0.00382648 -0.00620127] [-0.00044345 -0.00382648 0.00620127] [ 0.00780288 0.00381772 -0.00176995] [-0.00780288 0.00381772 0.00176995] [ 0.00780288 -0.00381772 0.00176995] [-0.00780288 -0.00381772 -0.00176995] [-0.00173297 0.00176598 0.00217413] [ 0.00173297 -0.00176598 0.00217413] [ 0.00173297 0.00176598 -0.00217413] [-0.00173297 -0.00176598 -0.00217413] [-0.00367807 0.00037698 0.00763444] [ 0.00367807 -0.00037698 0.00763444] [ 0.00367807 0.00037698 -0.00763444] [-0.00367807 -0.00037698 -0.00763444]] Final stress: [-1.39515912e-04 1.23192427e-04 4.51932398e-05 -1.79679603e-15 -3.03323156e-16 -1.63965344e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00208602 -0.00782706 -0.00133037] [ 0.00208602 0.00782706 -0.00133037] [ 0.00208602 -0.00782706 0.00133037] [-0.00208602 0.00782706 0.00133037] [ 0.00995976 -0.01871097 0.02120346] [-0.00995976 0.01871097 0.02120346] [-0.00995976 -0.01871097 -0.02120346] [ 0.00995976 0.01871097 -0.02120346] [ 0.01696903 0.00646164 0.00707126] [ 0.01696903 -0.00646164 -0.00707126] [-0.01696903 -0.00646164 0.00707126] [-0.01696903 0.00646164 -0.00707126] [ 0.01134787 -0.02883258 0.01518655] [-0.01134787 -0.02883258 -0.01518655] [ 0.01134787 0.02883258 -0.01518655] [-0.01134787 0.02883258 0.01518655] [ 0.01485325 -0.02514874 0.02797447] [-0.01485325 0.02514874 0.02797447] [-0.01485325 -0.02514874 -0.02797447] [ 0.01485325 0.02514874 -0.02797447] [ 0.00409237 -0.01251024 0.02870925] [-0.00409237 0.01251024 0.02870925] [-0.00409237 -0.01251024 -0.02870925] [ 0.00409237 0.01251024 -0.02870925]] Final stress: [-2.02320929e-04 -3.34910909e-04 -3.51713352e-04 8.95019581e-14 4.79354707e-14 -8.98622063e-15] Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00848516 -0.0029374 -0.00354891] [-0.00848516 0.0029374 -0.00354891] [-0.00848516 -0.0029374 0.00354891] [ 0.00848516 0.0029374 0.00354891] [-0.00374463 -0.00609832 0.00050568] [ 0.00374463 0.00609832 0.00050568] [ 0.00374463 -0.00609832 -0.00050568] [-0.00374463 0.00609832 -0.00050568] [ 0.00372809 -0.00188655 0.00765258] [ 0.00372809 0.00188655 -0.00765258] [-0.00372809 0.00188655 0.00765258] [-0.00372809 -0.00188655 -0.00765258] [ 0.00663337 0.00315987 0.01007786] [-0.00663337 0.00315987 -0.01007786] [ 0.00663337 -0.00315987 -0.01007786] [-0.00663337 -0.00315987 0.01007786] [ 0.00176718 0.00209921 -0.00166191] [-0.00176718 -0.00209921 -0.00166191] [-0.00176718 0.00209921 0.00166191] [ 0.00176718 -0.00209921 0.00166191] [ 0.00035417 0.0077727 -0.00380458] [-0.00035417 -0.0077727 -0.00380458] [-0.00035417 0.0077727 0.00380458] [ 0.00035417 -0.0077727 0.00380458]] Final stress: [ 1.21894031e-04 4.50961063e-05 -1.38094730e-04 7.61400074e-15 -1.27052485e-14 9.42957551e-15] Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00777428 -0.0012643 -0.00202322] [ 0.00777428 0.0012643 -0.00202322] [ 0.00777428 -0.0012643 0.00202322] [-0.00777428 0.0012643 0.00202322] [ 0.00646809 0.0071046 0.01699008] [-0.00646809 -0.0071046 0.01699008] [-0.00646809 0.0071046 -0.01699008] [ 0.00646809 -0.0071046 -0.01699008] [-0.02887159 0.01521066 0.01138434] [-0.02887159 -0.01521066 -0.01138434] [ 0.02887159 -0.01521066 0.01138434] [ 0.02887159 0.01521066 -0.01138434] [-0.01872776 0.02122311 0.00996998] [ 0.01872776 0.02122311 -0.00996998] [-0.01872776 -0.02122311 -0.00996998] [ 0.01872776 -0.02122311 0.00996998] [-0.02519969 0.02798471 0.01483304] [ 0.02519969 -0.02798471 0.01483304] [ 0.02519969 0.02798471 -0.01483304] [-0.02519969 -0.02798471 -0.01483304] [-0.01260093 0.02868862 0.00405988] [ 0.01260093 -0.02868862 0.00405988] [ 0.01260093 0.02868862 -0.00405988] [-0.01260093 -0.02868862 -0.00405988]] Final stress: [-3.34947171e-04 -3.52196615e-04 -2.02280299e-04 1.23724731e-13 5.99899164e-14 8.33855759e-14] Minimization converged after 100 steps. Minimization converged after 101 steps. Minimization converged after 99 steps. Minimization converged after 95 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 83 steps. Minimization converged after 81 steps. Minimization converged after 102 steps. Minimization converged after 106 steps. Minimization converged after 87 steps. Minimization converged after 86 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00104473 -0.00083155 -0.00015014] [-0.00104473 0.00083155 -0.00015014] [-0.00104473 -0.00083155 0.00015014] [ 0.00104473 0.00083155 0.00015014] [ 0.00117812 0.00523353 0.00407285] [-0.00117812 -0.00523353 0.00407285] [-0.00117812 0.00523353 -0.00407285] [ 0.00117812 -0.00523353 -0.00407285] [-0.00219771 -0.00356358 0.00502453] [-0.00219771 0.00356358 -0.00502453] [ 0.00219771 0.00356358 0.00502453] [ 0.00219771 -0.00356358 -0.00502453] [ 0.00107908 0.00301913 -0.00632933] [-0.00107908 0.00301913 0.00632933] [ 0.00107908 -0.00301913 0.00632933] [-0.00107908 -0.00301913 -0.00632933] [-0.00437016 0.00397817 0.00461606] [ 0.00437016 -0.00397817 0.00461606] [ 0.00437016 0.00397817 -0.00461606] [-0.00437016 -0.00397817 -0.00461606] [-0.00102066 0.00661977 -0.00267054] [ 0.00102066 -0.00661977 -0.00267054] [ 0.00102066 0.00661977 0.00267054] [-0.00102066 -0.00661977 0.00267054]] Final stress: [ 1.08087345e-04 4.79097133e-04 1.52352140e-04 -3.37156365e-15 -6.58430552e-15 1.16251239e-16] Minimization converged after 49 steps. Minimization converged after 51 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.0029371 -0.00355498 0.00849179] [ 0.0029371 0.00355498 0.00849179] [ 0.0029371 -0.00355498 -0.00849179] [-0.0029371 0.00355498 -0.00849179] [-0.00187901 0.00766166 0.00372845] [ 0.00187901 -0.00766166 0.00372845] [ 0.00187901 0.00766166 -0.00372845] [-0.00187901 -0.00766166 -0.00372845] [ 0.00315564 0.01007945 0.00663597] [ 0.00315564 -0.01007945 -0.00663597] [-0.00315564 -0.01007945 0.00663597] [-0.00315564 0.01007945 -0.00663597] [-0.00610666 0.00051239 -0.0037522 ] [ 0.00610666 0.00051239 0.0037522 ] [-0.00610666 -0.00051239 0.0037522 ] [ 0.00610666 -0.00051239 -0.0037522 ] [ 0.00209746 -0.00165245 0.00175972] [-0.00209746 0.00165245 0.00175972] [-0.00209746 -0.00165245 -0.00175972] [ 0.00209746 0.00165245 -0.00175972] [ 0.0077622 -0.0037916 0.00035378] [-0.0077622 0.0037916 0.00035378] [-0.0077622 -0.0037916 -0.00035378] [ 0.0077622 0.0037916 -0.00035378]] Final stress: [ 4.51165355e-05 -1.38096401e-04 1.21886773e-04 -4.40669122e-15 -7.10784727e-15 3.65992834e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00123871 -0.00200214 -0.00775989] [ 0.00123871 0.00200214 -0.00775989] [ 0.00123871 -0.00200214 0.00775989] [-0.00123871 0.00200214 0.00775989] [ 0.01521675 0.01140189 -0.02889452] [-0.01521675 -0.01140189 -0.02889452] [-0.01521675 0.01140189 0.02889452] [ 0.01521675 -0.01140189 0.02889452] [ 0.02124056 0.00997437 -0.01873727] [ 0.02124056 -0.00997437 0.01873727] [-0.02124056 -0.00997437 -0.01873727] [-0.02124056 0.00997437 0.01873727] [ 0.0071202 0.01700157 0.00646582] [-0.0071202 0.01700157 -0.00646582] [ 0.0071202 -0.01700157 -0.00646582] [-0.0071202 -0.01700157 0.00646582] [ 0.02799051 0.01482895 -0.02521835] [-0.02799051 -0.01482895 -0.02521835] [-0.02799051 0.01482895 0.02521835] [ 0.02799051 -0.01482895 0.02521835] [ 0.02868568 0.00405284 -0.01263875] [-0.02868568 -0.00405284 -0.01263875] [-0.02868568 0.00405284 0.01263875] [ 0.02868568 -0.00405284 0.01263875]] Final stress: [-3.52331684e-04 -2.02256784e-04 -3.34979935e-04 7.73229201e-14 -1.11419972e-13 -5.66787065e-14] Minimization converged after 104 steps. Minimization converged after 101 steps. Minimization converged after 86 steps. Minimization converged after 88 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 102 steps. Minimization converged after 97 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 82 steps. Minimization converged after 84 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00015009 0.00104476 -0.00083147] [ 0.00015009 -0.00104476 -0.00083147] [ 0.00015009 0.00104476 0.00083147] [-0.00015009 -0.00104476 0.00083147] [-0.00632923 0.00107911 0.00301916] [ 0.00632923 -0.00107911 0.00301916] [ 0.00632923 0.00107911 -0.00301916] [-0.00632923 -0.00107911 -0.00301916] [ 0.00407286 0.00117816 0.00523356] [ 0.00407286 -0.00117816 -0.00523356] [-0.00407286 -0.00117816 0.00523356] [-0.00407286 0.00117816 -0.00523356] [ 0.00502451 -0.00219772 -0.00356355] [-0.00502451 -0.00219772 0.00356355] [ 0.00502451 0.00219772 0.00356355] [-0.00502451 0.00219772 -0.00356355] [ 0.00461607 -0.00437014 0.00397811] [-0.00461607 0.00437014 0.00397811] [-0.00461607 -0.00437014 -0.00397811] [ 0.00461607 0.00437014 -0.00397811] [-0.00267058 -0.00102069 0.00661974] [ 0.00267058 0.00102069 0.00661974] [ 0.00267058 -0.00102069 -0.00661974] [-0.00267058 0.00102069 -0.00661974]] Final stress: [ 1.52352234e-04 1.08087031e-04 4.79097793e-04 1.81295184e-15 -1.75807270e-15 -1.28503794e-15] Minimization converged after 49 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 81 steps. Minimization converged after 81 steps. Minimization converged after 106 steps. Minimization converged after 101 steps. Minimization converged after 85 steps. Minimization converged after 88 steps. Minimization converged after 102 steps. Minimization converged after 101 steps. Minimization converged after 96 steps. Minimization converged after 95 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 0.00035616 0.00706853 -0.01641401] [ 0.02501386 0.00977672 -0.00554169] [ 0.02501386 -0.00977672 0.00554169] [ 0.00035616 -0.00706853 0.01641401] [ 0.00051015 -0.01287185 0.00444664] [-0.02421424 0.01372987 0.0331952 ] [-0.02421424 -0.01372987 -0.0331952 ] [ 0.00051015 0.01287185 -0.00444664] [ 0.00240114 0.00071521 0.00073907] [ 0.00240114 -0.00071521 -0.00073907] [ 0.00074762 -0.00463516 -0.00994729] [ 0.00074762 0.00463516 0.00994729] [-0.01171085 0.02617629 -0.00766751] [ 0.00946311 0.01004582 -0.00063538] [-0.01171085 -0.02617629 0.00766751] [ 0.00946311 -0.01004582 0.00063538] [-0.01675391 0.00607583 -0.00306899] [ 0.0120538 0.00062972 0.00502459] [ 0.0120538 -0.00062972 -0.00502459] [-0.01675391 -0.00607583 0.00306899] [-0.00316084 0.0152477 0.00070274] [ 0.00529399 -0.01473486 0.00297063] [ 0.00529399 0.01473486 -0.00297063] [-0.00316084 -0.0152477 -0.00070274]] Final stress: [ 1.13676949e-03 5.80977235e-04 1.13425549e-03 -6.93625268e-04 7.66872247e-14 -7.38007535e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-1.34934500e-03 9.48313021e-05 6.99101870e-04] [ 8.46226511e-04 2.70169987e-04 3.82991446e-05] [ 1.01420105e-03 -1.08713353e-03 -4.82120926e-04] [-1.34654972e-03 -8.15641882e-05 3.89352913e-04] [ 1.72885041e-04 -9.89127492e-04 8.09378235e-04] [-1.08055669e-03 1.53238522e-03 5.64398223e-04] [-3.59849871e-04 -1.03825875e-03 -1.31461540e-03] [ 1.34761915e-04 1.60161715e-03 -1.31381657e-03] [ 8.26906357e-04 -4.84759202e-04 3.60853544e-04] [ 8.38704624e-04 5.26886960e-04 1.39292120e-04] [-4.62324717e-04 -1.69121936e-03 -3.02668055e-04] [-7.55532803e-04 5.87353936e-04 7.70727129e-04] [ 6.93402104e-04 7.78229965e-04 -1.00255936e-03] [ 9.96986427e-05 6.86986420e-04 3.01351230e-04] [-2.07790470e-04 -6.50399768e-04 -9.88715385e-04] [ 4.96582944e-04 -4.89078540e-04 1.01875282e-03] [-1.53089435e-04 -7.95494058e-04 -4.36077625e-04] [ 1.02280232e-04 5.99337497e-04 -1.20090739e-06] [ 7.86662899e-04 -5.41858257e-04 1.11656368e-03] [-4.98258556e-04 9.50714677e-04 8.88845841e-04] [ 3.99051479e-05 6.01487131e-04 -2.37370685e-04] [ 1.52546754e-04 1.83484325e-04 -1.04780454e-03] [ 7.32825731e-04 6.73316727e-05 -3.15111164e-04] [-7.24292698e-04 -6.31923089e-04 3.45143866e-04]] Final stress: [ 8.82723463e-05 6.33750410e-05 4.90763286e-05 3.28720538e-04 3.29270429e-04 -4.63412358e-06] Minimization converged after 153 steps. Minimization converged after 150 steps. Minimization converged after 148 steps. Minimization converged after 152 steps. Minimization converged after 149 steps. Minimization converged after 147 steps. Minimization converged after 148 steps. Minimization converged after 101 steps. Minimization converged after 100 steps. Minimization converged after 149 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-7.53388233e-04 -2.25287718e-03 1.43643399e-04] [-1.84161014e-04 1.26991566e-03 -3.49661882e-04] [-1.18756809e-03 -2.30327548e-03 -1.45406759e-04] [ 7.81304521e-04 1.66100496e-03 1.90007257e-03] [ 1.60931825e-03 -4.76124638e-04 1.23920925e-03] [-1.86845134e-03 7.37405191e-04 8.10458356e-04] [ 1.68858988e-03 1.28583743e-03 -1.21026866e-03] [-5.32985724e-04 2.10445904e-04 -1.34271600e-03] [ 2.49666714e-03 4.10468859e-04 -2.37522030e-03] [ 2.27972924e-03 -6.78651060e-04 1.60692655e-03] [-9.15114916e-04 -1.83325355e-03 -2.53874112e-03] [-1.41956515e-03 3.03949959e-04 1.50103975e-03] [-2.86234072e-04 1.45606456e-03 -1.01051378e-03] [-8.27701259e-04 1.51966612e-03 7.43529266e-04] [-1.22570979e-03 -1.43932819e-03 -9.97770523e-04] [ 4.99363934e-04 -7.13786337e-04 2.91278020e-03] [-1.47859381e-03 -7.32588930e-04 -1.75246943e-03] [-7.88590569e-05 3.68843668e-05 -9.53922142e-04] [ 7.71836800e-04 -2.04149947e-04 1.26158167e-03] [-1.82904710e-03 1.39164772e-03 1.00703285e-03] [-5.75446205e-04 -1.29246976e-03 1.26966962e-03] [ 1.92396336e-03 1.82500888e-04 -3.61040293e-04] [ 2.59406951e-04 1.65885830e-04 -1.25385775e-03] [ 8.52645685e-04 1.29482763e-03 -1.04354832e-04]] Final stress: [ 8.41151427e-05 1.48514055e-04 1.06445398e-04 7.44579228e-06 3.27910722e-04 -3.29188933e-04] Minimization converged after 150 steps. Minimization converged after 155 steps. Minimization converged after 102 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-0.00504414 -0.00153398 0.00084527] [ 0.00504414 0.00153398 0.00084527] [ 0.00504414 -0.00153398 -0.00084527] [-0.00504414 0.00153398 -0.00084527] [-0.00744198 0.01487344 -0.00403031] [ 0.00744198 -0.01487344 -0.00403031] [ 0.00744198 0.01487344 0.00403031] [-0.00744198 -0.01487344 0.00403031] [-0.00093 -0.0194401 -0.00104797] [-0.00093 0.0194401 0.00104797] [ 0.00093 0.0194401 -0.00104797] [ 0.00093 -0.0194401 0.00104797] [ 0.00854693 0.00582417 -0.0022271 ] [-0.00854693 0.00582417 0.0022271 ] [ 0.00854693 -0.00582417 0.0022271 ] [-0.00854693 -0.00582417 -0.0022271 ] [ 0.00690954 0.0045378 -0.0121516 ] [-0.00690954 -0.0045378 -0.0121516 ] [-0.00690954 0.0045378 0.0121516 ] [ 0.00690954 -0.0045378 0.0121516 ] [ 0.01283918 -0.00453656 0.00197643] [-0.01283918 0.00453656 0.00197643] [-0.01283918 -0.00453656 -0.00197643] [ 0.01283918 0.00453656 -0.00197643]] Final stress: [ 1.63912569e-06 6.91586208e-05 3.15496534e-05 -3.85542354e-15 1.01151723e-14 1.78489033e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.03391197 0.0154505 0.01191807] [-0.03391197 -0.0154505 0.01191807] [-0.03391197 0.0154505 -0.01191807] [ 0.03391197 -0.0154505 -0.01191807] [ 0.01905981 -0.03423852 0.01242046] [-0.01905981 0.03423852 0.01242046] [-0.01905981 -0.03423852 -0.01242046] [ 0.01905981 0.03423852 -0.01242046] [ 0.00246712 0.0555994 0.01166009] [ 0.00246712 -0.0555994 -0.01166009] [-0.00246712 -0.0555994 0.01166009] [-0.00246712 0.0555994 -0.01166009] [-0.01353485 -0.00043575 0.01298228] [ 0.01353485 -0.00043575 -0.01298228] [-0.01353485 0.00043575 -0.01298228] [ 0.01353485 0.00043575 0.01298228] [-0.03843641 -0.01262009 0.02403958] [ 0.03843641 0.01262009 0.02403958] [ 0.03843641 -0.01262009 -0.02403958] [-0.03843641 0.01262009 -0.02403958] [-0.03558961 0.00611885 -0.00059243] [ 0.03558961 -0.00611885 -0.00059243] [ 0.03558961 0.00611885 0.00059243] [-0.03558961 -0.00611885 0.00059243]] Final stress: [ 8.73353782e-04 1.68006417e-04 1.72792520e-04 2.47158837e-14 -1.77531862e-14 -8.23816649e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00415662 0.01297378 0.00433941] [-0.00415662 -0.01297378 0.00433941] [-0.00415662 0.01297378 -0.00433941] [ 0.00415662 -0.01297378 -0.00433942] [ 0.00644532 0.05319967 -0.01329246] [-0.00644532 -0.05319967 -0.01329246] [-0.00644532 0.05319967 0.01329246] [ 0.00644532 -0.05319967 0.01329246] [ 0.00557942 0.00655892 0.01504947] [ 0.00557942 -0.00655892 -0.01504947] [-0.00557942 -0.00655892 0.01504947] [-0.00557942 0.00655892 -0.01504947] [-0.01163198 0.04312282 -0.01801105] [ 0.01163198 0.04312282 0.01801105] [-0.01163198 -0.04312282 0.01801105] [ 0.01163198 -0.04312282 -0.01801105] [ 0.00980239 0.03061422 -0.04067612] [-0.00980239 -0.03061422 -0.04067612] [-0.00980239 0.03061422 0.04067612] [ 0.00980239 -0.03061422 0.04067612] [-0.00355734 0.03102127 -0.02428993] [ 0.00355734 -0.03102127 -0.02428993] [ 0.00355734 0.03102127 0.02428993] [-0.00355734 -0.03102127 0.02428993]] Final stress: [ 1.43357012e-04 1.83858623e-05 4.65118270e-04 4.01631627e-13 5.61433535e-14 -1.53597922e-14] Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00233747 0.00509522 -0.00187997] [ 0.00233747 -0.00509522 -0.00187997] [ 0.00233747 0.00509522 0.00187997] [-0.00233747 -0.00509522 0.00187997] [ 0.00560131 0.00309278 0.00100707] [-0.00560131 -0.00309278 0.00100707] [-0.00560131 0.00309278 -0.00100707] [ 0.00560131 -0.00309278 -0.00100707] [ 0.00070435 -0.00204061 -0.00339659] [ 0.00070435 0.00204061 0.00339659] [-0.00070435 0.00204061 -0.00339659] [-0.00070435 -0.00204061 0.00339659] [ 0.00388945 0.0014872 -0.00161789] [-0.00388945 0.0014872 0.00161789] [ 0.00388945 -0.0014872 0.00161789] [-0.00388945 -0.0014872 -0.00161789] [-0.00055987 0.00118698 0.00038695] [ 0.00055987 -0.00118698 0.00038695] [ 0.00055987 0.00118698 -0.00038695] [-0.00055987 -0.00118698 -0.00038695] [-0.00227561 -0.000585 0.00470897] [ 0.00227561 0.000585 0.00470897] [ 0.00227561 -0.000585 -0.00470897] [-0.00227561 0.000585 -0.00470897]] Final stress: [-7.95873493e-05 7.12095079e-05 1.88401724e-05 -1.46981484e-14 2.84151503e-14 1.44997768e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[ 0.00107763 0.00456454 -0.00087014] [-0.00107764 -0.00456454 -0.00087014] [-0.00107764 0.00456454 0.00087014] [ 0.00107764 -0.00456454 0.00087014] [ 0.00539908 -0.00840041 -0.01125115] [-0.00539908 0.00840041 -0.01125115] [-0.00539908 -0.00840041 0.01125115] [ 0.00539908 0.00840041 0.01125115] [ 0.00536092 -0.00059795 -0.00651373] [ 0.00536092 0.00059795 0.00651373] [-0.00536092 0.00059795 -0.00651373] [-0.00536092 -0.00059795 0.00651373] [-0.0023835 -0.00514057 -0.00596722] [ 0.0023835 -0.00514057 0.00596722] [-0.0023835 0.00514057 0.00596722] [ 0.0023835 0.00514057 -0.00596722] [-0.00261504 -0.00859326 0.00802469] [ 0.00261504 0.00859326 0.00802469] [ 0.00261504 -0.00859326 -0.00802469] [-0.00261504 0.00859326 -0.00802469] [ 0.0134962 0.0053652 -0.01966228] [-0.0134962 -0.0053652 -0.01966228] [-0.0134962 0.0053652 0.01966228] [ 0.0134962 -0.0053652 0.01966228]] Final stress: [ 5.03852479e-03 3.97519079e-03 1.09511636e-03 -5.66723892e-13 1.47038731e-13 -5.33937602e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.01318078 0.00440907 0.00424067] [-0.01318078 -0.00440907 0.00424067] [-0.01318078 0.00440907 -0.00424067] [ 0.01318078 -0.00440907 -0.00424067] [ 0.00648743 0.01534129 0.00570612] [-0.00648743 -0.01534128 0.00570612] [-0.00648743 0.01534129 -0.00570612] [ 0.00648743 -0.01534128 -0.00570612] [ 0.04370242 -0.01835748 -0.01176132] [ 0.04370242 0.01835748 0.01176132] [-0.04370242 0.01835748 -0.01176132] [-0.04370242 -0.01835748 0.01176132] [ 0.05383664 -0.01361422 0.00631577] [-0.05383664 -0.01361422 -0.00631577] [ 0.05383664 0.01361422 -0.00631577] [-0.05383664 0.01361423 0.00631577] [ 0.03076449 -0.04131414 0.00970123] [-0.03076449 0.04131414 0.00970123] [-0.03076449 -0.04131414 -0.00970123] [ 0.03076449 0.04131414 -0.00970123] [ 0.03155608 -0.02431246 -0.00339946] [-0.03155608 0.02431246 -0.00339946] [-0.03155608 -0.02431246 0.00339946] [ 0.03155608 0.02431246 0.00339946]] Final stress: [ 1.60797491e-05 4.67337898e-04 1.42923708e-04 7.59411419e-14 -8.85303627e-14 -1.37249773e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00509123 -0.00188045 -0.00233349] [-0.00509123 0.00188045 -0.00233349] [-0.00509123 -0.00188045 0.00233349] [ 0.00509123 0.00188045 0.00233349] [-0.00203361 -0.00338856 0.00070224] [ 0.00203361 0.00338856 0.00070224] [ 0.00203361 -0.00338856 -0.00070224] [-0.00203361 0.00338856 -0.00070224] [ 0.00148427 -0.00162644 0.00387947] [ 0.00148427 0.00162644 -0.00387947] [-0.00148427 0.00162644 0.00387947] [-0.00148427 -0.00162644 -0.00387947] [ 0.0030925 0.00101039 0.00560186] [-0.0030925 0.00101039 -0.00560186] [ 0.0030925 -0.00101039 -0.00560186] [-0.0030925 -0.00101039 0.00560186] [ 0.00119164 0.0003857 -0.00056352] [-0.00119164 -0.0003857 -0.00056352] [-0.00119164 0.0003857 0.00056352] [ 0.00119164 -0.0003857 0.00056352] [-0.00058569 0.00472073 -0.00228795] [ 0.00058569 -0.00472073 -0.00228795] [ 0.00058569 0.00472073 0.00228795] [-0.00058569 -0.00472073 0.00228795]] Final stress: [ 7.11628462e-05 1.88294269e-05 -7.95300757e-05 9.77648397e-15 1.81920136e-14 -1.87141401e-14] Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[ 0.00773598 0.01093478 -0.00341573] [-0.00773598 -0.01093478 -0.00341573] [-0.00773598 0.01093479 0.00341573] [ 0.00773598 -0.01093478 0.00341573] [-0.00713776 -0.00869423 0.00709719] [ 0.00713776 0.00869423 0.00709719] [ 0.00713776 -0.00869423 -0.00709719] [-0.00713776 0.00869423 -0.00709719] [-0.00468894 -0.00772242 0.00687181] [-0.00468894 0.00772242 -0.00687181] [ 0.00468894 0.00772242 0.00687181] [ 0.00468894 -0.00772242 -0.00687181] [ 0.00580359 0.00655282 0.00624457] [-0.00580359 0.00655282 -0.00624457] [ 0.00580359 -0.00655282 -0.00624457] [-0.00580359 -0.00655282 0.00624457] [-0.01026319 0.01933961 -0.00838274] [ 0.01026319 -0.01933962 -0.00838275] [ 0.01026319 0.01933961 0.00838274] [-0.01026319 -0.01933961 0.00838274] [ 0.01023836 -0.03548501 0.02286779] [-0.01023836 0.03548501 0.02286779] [-0.01023836 -0.03548501 -0.02286779] [ 0.01023836 0.03548501 -0.02286779]] Final stress: [ 3.98888548e-03 1.20953643e-03 5.11663136e-03 -5.09295072e-12 2.00247223e-12 -1.06080730e-12] Minimization converged after 99 steps. Minimization converged after 96 steps. Minimization converged after 99 steps. Minimization converged after 100 steps. Minimization converged after 101 steps. Minimization converged after 107 steps. Minimization converged after 89 steps. Minimization converged after 87 steps. Minimization converged after 94 steps. Minimization converged after 98 steps. Minimization converged after 82 steps. Minimization converged after 85 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.00084524 -0.0050443 -0.00153406] [-0.00084524 0.0050443 -0.00153406] [-0.00084524 -0.0050443 0.00153406] [ 0.00084524 0.0050443 0.00153406] [-0.00222713 0.00854702 0.00582418] [ 0.00222713 -0.00854702 0.00582418] [ 0.00222713 0.00854702 -0.00582418] [-0.00222713 -0.00854702 -0.00582418] [-0.00403032 -0.00744206 0.01487359] [-0.00403032 0.00744206 -0.01487359] [ 0.00403032 0.00744206 0.01487359] [ 0.00403032 -0.00744206 -0.01487359] [-0.00104797 -0.00093018 -0.01944038] [ 0.00104797 -0.00093018 0.01944038] [-0.00104797 0.00093018 0.01944038] [ 0.00104797 0.00093018 -0.01944038] [-0.01215175 0.00690959 0.00453776] [ 0.01215175 -0.00690959 0.00453776] [ 0.01215175 0.00690959 -0.00453776] [-0.01215175 -0.00690959 -0.00453776] [ 0.00197651 0.01283936 -0.00453649] [-0.00197651 -0.01283936 -0.00453649] [-0.00197651 0.01283936 0.00453649] [ 0.00197651 -0.01283936 0.00453649]] Final stress: [ 3.15479931e-05 1.63340080e-06 6.91567592e-05 -1.03273004e-15 -3.18070380e-15 -8.49809850e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.0119181 0.03391204 0.01545054] [-0.0119181 -0.03391204 0.01545054] [-0.0119181 0.03391204 -0.01545054] [ 0.0119181 -0.03391204 -0.01545054] [ 0.01298226 -0.0135348 -0.00043575] [-0.01298226 0.0135348 -0.00043575] [-0.01298226 -0.0135348 0.00043575] [ 0.01298226 0.0135348 0.00043575] [ 0.01242046 0.0190598 -0.03423851] [ 0.01242046 -0.0190598 0.03423851] [-0.01242046 -0.0190598 -0.03423851] [-0.01242046 0.0190598 0.03423851] [ 0.01166004 0.00246705 0.05559937] [-0.01166004 0.00246705 -0.05559937] [ 0.01166004 -0.00246705 -0.05559937] [-0.01166004 -0.00246705 0.05559937] [ 0.02403962 -0.03843651 -0.01262014] [-0.02403962 0.03843651 -0.01262014] [-0.02403962 -0.03843651 0.01262014] [ 0.02403962 0.03843651 0.01262014] [-0.00059241 -0.03558957 0.00611892] [ 0.00059241 0.03558957 0.00611892] [ 0.00059241 -0.03558957 -0.00611892] [-0.00059241 0.03558957 -0.00611892]] Final stress: [ 1.72790952e-04 8.73351260e-04 1.68004765e-04 -7.91459522e-15 1.38501332e-15 2.13262182e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00440978 0.00424098 0.01318013] [-0.00440978 -0.00424098 0.01318013] [-0.00440978 0.00424098 -0.01318013] [ 0.00440978 -0.00424098 -0.01318013] [-0.01835651 -0.01175949 0.0436973 ] [ 0.01835651 0.01175949 0.0436973 ] [ 0.01835651 -0.01175949 -0.0436973 ] [-0.01835651 0.01175949 -0.0436973 ] [-0.01361194 0.00631469 0.05383157] [-0.01361194 -0.00631469 -0.05383157] [ 0.01361194 -0.00631469 0.05383157] [ 0.01361194 0.00631469 -0.05383157] [ 0.01534039 0.00570497 0.00648667] [-0.01534039 0.00570497 -0.00648667] [ 0.01534039 -0.00570497 -0.00648667] [-0.01534039 -0.00570497 0.00648667] [-0.04131305 0.00969821 0.03076057] [ 0.04131305 -0.00969821 0.03076057] [ 0.04131305 0.00969821 -0.03076057] [-0.04131305 -0.00969821 -0.03076057] [-0.02430964 -0.00339747 0.03155289] [ 0.02430964 0.00339747 0.03155289] [ 0.02430964 -0.00339747 -0.03155289] [-0.02430964 0.00339747 -0.03155289]] Final stress: [ 4.67320122e-04 1.42928061e-04 1.60991220e-05 -3.30218471e-13 2.24467965e-13 4.70640310e-14] Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00188144 -0.00233709 0.00509565] [ 0.00188144 0.00233709 0.00509565] [ 0.00188144 -0.00233709 -0.00509565] [-0.00188144 0.00233709 -0.00509565] [-0.00163894 0.00386464 0.00147012] [ 0.00163894 -0.00386464 0.00147012] [ 0.00163894 0.00386464 -0.00147012] [-0.00163894 -0.00386464 -0.00147012] [ 0.00100724 0.00560854 0.00309889] [ 0.00100724 -0.00560854 -0.00309889] [-0.00100724 -0.00560854 0.00309889] [-0.00100724 0.00560854 -0.00309889] [-0.0033811 0.00071895 -0.0020282 ] [ 0.0033811 0.00071895 0.0020282 ] [-0.0033811 -0.00071895 0.0020282 ] [ 0.0033811 -0.00071895 -0.0020282 ] [ 0.00037089 -0.00054313 0.0011856 ] [-0.00037089 0.00054313 0.0011856 ] [-0.00037089 -0.00054313 -0.0011856 ] [ 0.00037089 0.00054313 -0.0011856 ] [ 0.00473453 -0.00229645 -0.00059124] [-0.00473453 0.00229645 -0.00059124] [-0.00473453 -0.00229645 0.00059124] [ 0.00473453 0.00229645 0.00059124]] Final stress: [ 1.88289528e-05 -7.92751481e-05 7.09222959e-05 1.09186499e-14 -2.66400893e-14 -1.04279224e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[-0.00722861 0.00445251 -0.00175841] [ 0.00722861 -0.00445251 -0.00175841] [ 0.00722861 0.00445251 0.00175841] [-0.00722861 -0.00445251 0.00175841] [-0.00901271 0.00485807 -0.01669064] [ 0.00901271 -0.00485807 -0.01669064] [ 0.00901271 0.00485807 0.01669064] [-0.00901271 -0.00485807 0.01669064] [-0.02443179 0.00055136 -0.02054043] [-0.02443179 -0.00055136 0.02054043] [ 0.02443179 -0.00055136 -0.02054043] [ 0.02443179 0.00055136 0.02054043] [-0.00109792 0.02481881 -0.00203583] [ 0.00109793 0.02481881 0.00203583] [-0.00109793 -0.02481881 0.00203583] [ 0.00109793 -0.02481881 -0.00203583] [ 0.01579432 -0.01241095 -0.01345894] [-0.01579432 0.01241095 -0.01345893] [-0.01579432 -0.01241095 0.01345893] [ 0.01579432 0.01241095 0.01345893] [-0.04892674 0.03275117 0.00024918] [ 0.04892674 -0.03275117 0.00024918] [ 0.04892674 0.03275117 -0.00024918] [-0.04892674 -0.03275117 -0.00024918]] Final stress: [ 1.25374770e-03 5.77535033e-03 3.81740537e-03 1.16843198e-13 -7.57555170e-12 2.04587793e-12] Minimization converged after 97 steps. Minimization converged after 101 steps. Minimization converged after 82 steps. Minimization converged after 85 steps. Minimization converged after 101 steps. Minimization converged after 99 steps. Minimization converged after 99 steps. Minimization converged after 96 steps. Minimization converged after 99 steps. Minimization converged after 101 steps. Minimization converged after 87 steps. Minimization converged after 87 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-0.00153398 0.00084527 -0.00504414] [ 0.00153398 -0.00084527 -0.00504414] [ 0.00153398 0.00084527 0.00504414] [-0.00153398 -0.00084527 0.00504414] [-0.0194401 -0.00104797 -0.00093 ] [ 0.0194401 0.00104797 -0.00093 ] [ 0.0194401 -0.00104797 0.00093 ] [-0.0194401 0.00104797 0.00093 ] [ 0.00582417 -0.0022271 0.00854693] [ 0.00582417 0.0022271 -0.00854693] [-0.00582417 0.0022271 0.00854693] [-0.00582417 -0.0022271 -0.00854693] [ 0.01487344 -0.00403031 -0.00744198] [-0.01487344 -0.00403031 0.00744198] [ 0.01487344 0.00403031 0.00744198] [-0.01487344 0.00403031 -0.00744198] [ 0.0045378 -0.0121516 0.00690954] [-0.0045378 0.0121516 0.00690954] [-0.0045378 -0.0121516 -0.00690954] [ 0.0045378 0.0121516 -0.00690954] [-0.00453656 0.00197643 0.01283918] [ 0.00453656 -0.00197643 0.01283918] [ 0.00453656 0.00197643 -0.01283918] [-0.00453656 -0.00197643 -0.01283918]] Final stress: [ 6.91586164e-05 3.15496495e-05 1.63911215e-06 1.25692216e-14 2.18753037e-15 -3.54240755e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.01545051 0.01191807 0.03391198] [-0.01545051 -0.01191807 0.03391198] [-0.01545051 0.01191807 -0.03391198] [ 0.01545051 -0.01191807 -0.03391198] [ 0.0555994 0.01166008 0.00246711] [-0.0555994 -0.01166008 0.00246711] [-0.0555994 0.01166008 -0.00246711] [ 0.0555994 -0.01166008 -0.00246711] [-0.00043575 0.01298227 -0.01353484] [-0.00043575 -0.01298227 0.01353484] [ 0.00043575 -0.01298227 -0.01353484] [ 0.00043575 0.01298227 0.01353484] [-0.03423852 0.01242046 0.01905981] [ 0.03423852 0.01242046 -0.01905981] [-0.03423852 -0.01242046 -0.01905981] [ 0.03423852 -0.01242046 0.01905981] [-0.0126201 0.02403959 -0.03843643] [ 0.0126201 -0.02403959 -0.03843643] [ 0.0126201 0.02403959 0.03843643] [-0.0126201 -0.02403959 0.03843643] [ 0.00611886 -0.00059242 -0.0355896 ] [-0.00611886 0.00059242 -0.0355896 ] [-0.00611886 -0.00059242 0.0355896 ] [ 0.00611886 0.00059242 0.0355896 ]] Final stress: [ 1.68005969e-04 1.72792088e-04 8.73353174e-04 -1.42869691e-15 1.06487547e-14 2.52356315e-14] Minimization converged after 100 steps. Minimization converged after 102 steps. Minimization converged after 88 steps. Minimization converged after 88 steps. Minimization converged after 96 steps. Minimization converged after 95 steps. Minimization converged after 87 steps. Minimization converged after 80 steps. Minimization converged after 96 steps. Minimization converged after 97 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 71 steps. Final forces: [[ 0.00739451 -0.01477883 0.02181446] [-0.0073945 0.01477884 0.02181444] [ 0.02782442 -0.03602284 0.01854348] [-0.02782442 0.03602284 0.01854349] [-0.03554591 -0.0209954 -0.02050278] [ 0.03554591 0.0209954 -0.02050279] [-0.00863753 -0.02640848 -0.00604357] [ 0.00863753 0.02640849 -0.00604356] [-0.01011377 0.00153546 -0.0287267 ] [ 0.0045552 -0.01493189 0.00767987] [ 0.01011376 -0.00153546 -0.02872669] [-0.0045552 0.01493189 0.00767987] [-0.01023066 0.01158377 0.00201974] [ 0.01155957 -0.0083481 0.00474882] [-0.01155956 0.00834809 0.00474881] [ 0.01023066 -0.01158377 0.00201975] [-0.01711411 0.0129172 0.01243789] [ 0.0171141 -0.0129172 0.01243788] [ 0.0136926 0.04666782 0.01824632] [-0.01369259 -0.04666782 0.01824632] [ 0.01231931 0.01469439 -0.00066226] [-0.01231931 -0.0146944 -0.00066224] [ 0.02529329 0.01541234 -0.02955525] [-0.02529329 -0.01541234 -0.02955527]] Final stress: [4.00664441e-03 3.96659943e-03 1.20774295e-02 1.62602716e-12 1.52691915e-11 2.28266536e-04] Minimization converged after 98 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-4.95447802e-04 -7.80041846e-05 -7.41398965e-05] [ 2.83292464e-04 -3.01938548e-04 -5.40271722e-04] [ 2.83292457e-04 3.01938553e-04 5.40271717e-04] [-4.95447806e-04 7.80041863e-05 7.41398996e-05] [ 6.13328972e-04 -3.26238817e-04 5.13896879e-04] [-3.04766444e-05 2.08689851e-04 2.37253082e-04] [-3.04766399e-05 -2.08689856e-04 -2.37253085e-04] [ 6.13328972e-04 3.26238818e-04 -5.13896870e-04] [-7.54468170e-05 3.09459427e-04 -8.22259876e-05] [-7.54468217e-05 -3.09459427e-04 8.22259875e-05] [-5.25118104e-05 2.12739557e-04 2.37325818e-04] [-5.25118164e-05 -2.12739556e-04 -2.37325818e-04] [-3.30601555e-04 2.03246117e-04 1.12335881e-04] [ 1.14938906e-04 5.18767068e-04 1.23627157e-04] [-3.30601540e-04 -2.03246127e-04 -1.12335891e-04] [ 1.14938890e-04 -5.18767079e-04 -1.23627146e-04] [-2.88285920e-04 -1.61820852e-05 1.19080832e-04] [ 2.66087905e-04 7.88737921e-06 2.53803839e-05] [ 2.66087921e-04 -7.88737212e-06 -2.53803940e-05] [-2.88285904e-04 1.61820958e-05 -1.19080828e-04] [-1.47991567e-04 1.41168033e-04 -1.31776576e-04] [ 1.43113869e-04 -3.45418006e-04 -2.30925915e-05] [ 1.43113865e-04 3.45418007e-04 2.30926054e-05] [-1.47991577e-04 -1.41168034e-04 1.31776563e-04]] Final stress: [2.56874732e-05 7.86431344e-06 2.05205771e-05 4.11273434e-04 1.44092046e-14 1.38654690e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 29 steps. Final forces: [[-1.57409174e-04 2.58183023e-04 -3.43894705e-04] [ 2.82943746e-04 -5.46762339e-05 5.62087113e-05] [ 2.82943755e-04 5.46762253e-05 -5.62087044e-05] [-1.57409181e-04 -2.58183015e-04 3.43894710e-04] [-5.86394595e-05 -2.59103371e-04 1.97756227e-04] [-4.74143053e-04 2.05254531e-04 3.47956030e-04] [-4.74143071e-04 -2.05254505e-04 -3.47956046e-04] [-5.86394387e-05 2.59103339e-04 -1.97756246e-04] [ 4.23826475e-05 -9.64090378e-05 2.14668689e-04] [ 4.23826357e-05 9.64090384e-05 -2.14668685e-04] [ 3.85447055e-04 -1.26472716e-04 -9.47032800e-05] [ 3.85447065e-04 1.26472720e-04 9.47032734e-05] [-1.87498982e-04 3.07340166e-04 -1.37670852e-04] [ 3.06311383e-04 2.78015911e-04 -8.36591444e-05] [-1.87498983e-04 -3.07340158e-04 1.37670855e-04] [ 3.06311390e-04 -2.78015917e-04 8.36591427e-05] [-3.53686639e-04 1.87780492e-05 8.44725252e-05] [ 2.86799604e-04 -6.36797651e-05 -3.48218092e-05] [ 2.86799614e-04 6.36797886e-05 3.48218185e-05] [-3.53686651e-04 -1.87780745e-05 -8.44725119e-05] [-3.34427078e-04 3.02688459e-04 -5.33200428e-05] [ 2.61919942e-04 -1.38481515e-05 -6.25110623e-05] [ 2.61919921e-04 1.38481360e-05 6.25110567e-05] [-3.34427047e-04 -3.02688443e-04 5.33200500e-05]] Final stress: [ 1.79510136e-05 4.91986170e-06 1.40562506e-05 -4.11682000e-04 -2.80257674e-15 3.84982681e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[-1.83841345e-03 -4.87219754e-05 3.84736221e-04] [ 1.00644766e-03 3.35910744e-04 3.45459360e-05] [ 1.59026422e-03 -1.12062573e-03 -6.72770877e-04] [-1.68199013e-03 -6.24565602e-05 4.48162304e-04] [ 4.66334400e-04 -1.63906059e-03 1.10917109e-03] [-1.30473179e-03 2.13626415e-03 7.89044257e-04] [-2.26467512e-04 -2.03219904e-03 -1.07359425e-03] [-2.34052663e-04 3.18992338e-03 -6.44409610e-04] [ 6.10840862e-04 -6.70001107e-04 -6.19799695e-04] [ 1.06291529e-03 -1.35574437e-04 -1.81875913e-05] [-5.91398324e-04 -1.76951359e-03 -1.04080847e-03] [-8.74656420e-04 1.28877157e-03 1.12401383e-03] [ 1.96290788e-04 1.21721561e-03 -1.19693602e-03] [-7.86530506e-05 4.26985306e-04 6.24166995e-05] [ 1.26159054e-04 -7.88443606e-04 -1.53260590e-03] [ 1.39429770e-03 -8.43653987e-04 8.59658973e-04] [-1.16454522e-03 -1.49466104e-03 -1.00802867e-03] [ 1.32123047e-03 1.16324255e-03 -5.84676510e-04] [ 1.03129981e-03 -5.95011698e-04 1.85249572e-03] [-9.76113927e-04 1.17816755e-03 1.26321098e-03] [-4.89794081e-04 -2.79052745e-04 -3.93706424e-04] [ 9.19806349e-04 8.29813071e-04 -1.14692612e-03] [ 6.60627416e-04 -9.30200942e-05 9.39924489e-04] [-9.25697437e-04 -1.94297738e-04 1.06506963e-03]] Final stress: [ 1.33020067e-04 9.99168566e-05 7.69891535e-05 2.04930076e-04 2.05479426e-04 -6.43363826e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[-1.75038026e-03 1.44743825e-05 -4.94346059e-04] [ 1.50186206e-03 1.20261143e-03 4.55262314e-04] [ 1.09606706e-03 -4.07593613e-04 1.60372360e-04] [-1.72410570e-03 6.84463226e-05 -4.17307102e-04] [-2.58803591e-04 -3.02656154e-03 5.82789351e-04] [-3.95253995e-04 1.77325471e-03 1.22877289e-03] [-9.15120343e-04 -2.41408028e-03 -2.92625193e-04] [ 2.76597937e-04 1.85858821e-03 -8.75209568e-04] [ 9.49248871e-04 2.39553122e-04 -6.76575825e-05] [ 4.93473168e-04 5.37095879e-04 7.65219518e-04] [-8.13840865e-04 -1.05354382e-03 -1.12912352e-03] [-5.31809256e-04 1.58683949e-03 1.04268415e-03] [ 5.97387277e-05 9.44387064e-04 1.34830262e-03] [ 1.36393258e-03 5.63413470e-04 -5.97488845e-04] [ 2.32936032e-04 -1.17215444e-03 9.02197616e-04] [ 9.89424416e-05 -3.33239697e-04 -7.03220179e-05] [-1.18925698e-03 -9.35401552e-04 -1.28043294e-03] [ 8.96586401e-04 6.00278669e-04 -1.93190520e-03] [ 1.37905298e-03 -1.09513881e-03 6.31104320e-04] [-9.50979612e-04 1.30502727e-03 6.37967082e-04] [-6.90313438e-04 -1.25161402e-04 -1.00906740e-03] [ 6.69087373e-04 6.90572697e-05 -1.01113017e-03] [ 7.42690764e-04 -5.93565966e-04 8.23865097e-04] [-5.40352352e-04 3.93413823e-04 5.98078272e-04]] Final stress: [ 1.26412302e-04 9.57163770e-05 7.30735093e-05 2.05198988e-04 -2.05587669e-04 5.61102874e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[-1.82963495e-03 -1.30304311e-03 7.94029468e-04] [ 2.09698720e-03 -9.25855480e-05 -3.79082760e-04] [ 1.82219140e-03 2.59915021e-04 -8.47396242e-04] [-1.14492214e-03 2.35190244e-04 -1.25368744e-04] [ 3.82642385e-04 -2.45067808e-03 1.40181746e-03] [ 1.60618040e-04 3.57259843e-03 8.45484644e-04] [-7.15557243e-04 -1.72878444e-03 -1.66574335e-03] [ 1.82417119e-03 2.33453289e-03 -1.22688208e-03] [ 1.07926415e-03 1.57566609e-03 -1.21575909e-03] [ 8.65945047e-04 -2.16827456e-03 1.16630046e-03] [-1.40419095e-03 -3.29698732e-04 2.30762488e-05] [-9.78083428e-04 -7.13052752e-04 5.32291232e-04] [ 2.44951394e-04 5.42378038e-04 6.29900011e-05] [-1.88519602e-04 1.69893412e-03 1.37559787e-03] [-1.57913742e-03 -1.13659344e-03 -1.07747503e-03] [-1.56085525e-04 -9.36291758e-04 1.81252095e-03] [-1.24796694e-03 -9.20995794e-04 -2.00129770e-03] [ 1.14246786e-03 1.30093742e-03 -1.63660992e-03] [ 1.46592062e-03 -1.94713175e-03 1.28584453e-03] [-1.60821251e-03 1.84755613e-03 1.03813174e-03] [-9.62240888e-04 2.97845389e-05 -8.78970878e-04] [ 9.55914433e-04 -3.43356043e-04 -1.33802062e-03] [ 9.38273991e-04 -3.46566111e-04 7.36261272e-04] [-1.16479611e-03 1.01955920e-03 1.31826054e-03]] Final stress: [ 1.64905211e-04 1.23359221e-04 9.70444471e-05 -2.04649615e-04 2.05426869e-04 7.76648230e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[-1.05419096e-03 -3.26369458e-04 2.19538553e-05] [ 1.79331249e-03 -5.63379348e-05 5.37401253e-04] [ 1.79585742e-03 7.84865144e-05 4.20920775e-04] [-1.63443425e-03 1.17667902e-03 -6.99491125e-04] [ 1.43609779e-03 -2.19704790e-03 8.79414277e-04] [-5.15944423e-04 1.65241883e-03 1.27609668e-03] [ 2.21485956e-04 -3.24751552e-03 -6.84084203e-04] [ 2.98452026e-04 2.10699642e-03 -1.18477468e-03] [ 6.76812056e-04 1.86866639e-03 -1.06801656e-03] [ 9.05372962e-04 -1.33731529e-03 1.13543765e-03] [-7.24787938e-04 6.86400678e-04 -5.78141670e-04] [-1.13445227e-03 2.12372947e-04 -2.24165676e-05] [-1.45031765e-03 9.07559359e-04 8.96355616e-04] [-1.37456639e-04 8.18464612e-04 -1.59583005e-03] [ 1.34102383e-04 -4.19202784e-04 2.01348538e-05] [-1.99079761e-04 -1.38476942e-03 -1.21994355e-03] [-1.38825694e-03 -1.38517912e-03 -7.29586379e-04] [ 1.20695157e-03 1.61288802e-03 -1.03943952e-03] [ 1.03780468e-03 -1.14882794e-03 1.36469685e-03] [-1.07358119e-03 6.74836110e-04 1.86532796e-03] [-9.81955762e-04 -8.42375940e-04 -1.13832357e-03] [ 6.51352254e-04 2.90387794e-04 -5.07533243e-04] [ 8.75458419e-04 2.01087325e-04 1.13878894e-03] [-7.38602228e-04 5.76972866e-05 9.11052391e-04]] Final stress: [ 1.40502249e-04 1.05422642e-04 8.18223527e-05 -2.04902946e-04 -2.05483991e-04 -6.64469251e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[ 7.63461980e-05 5.65765321e-04 -1.77868079e-03] [-8.16495307e-05 4.13813439e-04 -1.81227235e-03] [ 3.24092374e-04 1.88487288e-05 1.06127289e-03] [-1.18304625e-03 -7.02316538e-04 1.63706673e-03] [-6.86912968e-04 -5.66028063e-04 7.44758049e-04] [-2.26640598e-04 -2.32485150e-05 1.14687675e-03] [-1.88333324e-03 -1.06986495e-03 -6.90211893e-04] [ 1.34125938e-03 1.13495688e-03 -9.07799305e-04] [ 1.41334582e-03 -1.22076969e-03 2.00340580e-04] [ 4.17090928e-04 1.22380854e-05 -1.44191012e-04] [-8.22199988e-04 -1.60202305e-03 1.37933838e-04] [-9.14491160e-04 9.01720658e-04 1.45544558e-03] [-1.64649820e-03 1.30633980e-03 5.24724525e-04] [ 2.19841917e-03 8.95680569e-04 -1.46024425e-03] [-2.11597055e-03 -1.20330169e-03 -3.11012368e-04] [ 3.24836984e-03 -6.87601423e-04 -2.18605198e-04] [-1.62729694e-03 -1.04095816e-03 -1.21133635e-03] [ 1.14059118e-03 1.37956112e-03 -1.04563013e-03] [ 1.42317759e-03 -7.58245570e-04 1.39616799e-03] [-6.92543177e-04 1.85877345e-03 1.07687536e-03] [-2.91689273e-04 -5.30284893e-04 -6.80045224e-04] [-2.03646379e-04 1.14950565e-03 -8.64470556e-04] [ 8.42693176e-04 -1.13253219e-03 9.87869884e-04] [-4.94673934e-05 8.99971027e-04 7.55167262e-04]] Final stress: [ 1.06135001e-04 8.24901529e-05 1.41493289e-04 2.05486666e-04 -6.66928528e-06 2.04901373e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[-9.92916494e-04 3.40666895e-04 -1.26017524e-03] [ 3.59645116e-04 1.29987764e-04 -9.40169335e-04] [ 9.13081293e-06 -4.56800444e-04 1.44180256e-03] [-1.30063966e-04 -2.70457466e-04 1.51507555e-03] [ 8.40650170e-04 -9.88803207e-04 6.99014279e-04] [-1.31648004e-03 8.58290561e-04 3.72929564e-04] [-1.52676982e-04 -7.63976359e-05 -8.09487866e-04] [-4.16201813e-04 6.99407546e-04 -3.05701402e-04] [ 3.42376549e-04 -1.22158657e-04 -1.85405533e-04] [ 8.38913686e-04 7.27447533e-04 -2.37255662e-04] [-3.70785799e-04 -4.83806350e-04 -1.08501294e-03] [-8.58606254e-04 1.09130328e-03 -2.39218127e-05] [-1.47279362e-03 1.00302797e-03 2.99825503e-04] [ 2.59629965e-03 4.53244897e-04 2.45886769e-04] [-1.59336223e-03 -6.02619704e-04 -1.98181601e-04] [ 2.02536409e-03 -1.62539350e-04 6.84636523e-04] [-5.41112224e-04 -1.65313231e-03 -7.21455377e-04] [ 7.23275441e-04 4.77232252e-04 -1.15721037e-03] [ 8.83556315e-04 -1.02501484e-03 9.88354437e-04] [-9.58532839e-04 5.02690866e-04 7.96197041e-04] [-4.98725292e-05 -8.79512564e-04 -5.82100225e-04] [ 5.07937426e-04 7.18340423e-04 -5.14333157e-04] [ 1.02288605e-04 -7.79491357e-04 6.85050807e-04] [-3.76033066e-04 4.99093890e-04 2.91637483e-04]] Final stress: [ 7.85070342e-05 5.92938968e-05 1.03648689e-04 2.05673571e-04 4.80457484e-06 -2.05370470e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[ 8.80410862e-05 -3.02520184e-04 -1.96558348e-03] [-3.48270080e-04 -9.22749237e-04 -1.54666127e-03] [ 1.18441881e-03 7.08075240e-04 1.65692151e-03] [-1.63952192e-04 -1.39235006e-04 1.05222670e-03] [ 3.64531373e-04 1.54550157e-05 1.34933051e-03] [ 6.07928147e-04 4.19176589e-04 9.55466012e-04] [-1.43325280e-03 -1.08296734e-03 -1.00529891e-03] [ 2.02378991e-03 1.03288450e-03 -8.27665803e-04] [ 8.84184185e-04 1.64327111e-03 1.41472935e-04] [ 1.02852369e-03 -1.00000237e-03 1.38645188e-03] [-1.61338181e-03 1.22171180e-03 1.88270691e-04] [-5.27676639e-04 8.48571167e-05 -2.44389798e-04] [-3.21140678e-03 7.81468753e-04 -1.16856196e-04] [ 2.25141930e-03 1.34047443e-03 -3.98968388e-04] [-2.06132022e-03 -1.20084946e-03 -1.76409139e-03] [ 1.50566299e-03 -1.62455644e-03 7.01599855e-04] [-1.18648689e-03 -1.53970525e-03 -1.04408180e-03] [ 1.78979647e-03 1.18306751e-03 -1.36646100e-03] [ 9.63698093e-04 -1.75320539e-03 1.13186263e-03] [-1.81523912e-03 1.09077709e-03 1.49367745e-03] [ 3.54704237e-04 -1.23269460e-03 -8.54444140e-04] [ 3.50748276e-04 8.07775728e-04 -9.49160387e-04] [-8.68331851e-05 -7.23962023e-04 9.81275905e-04] [-9.49626845e-04 1.19345242e-03 1.04510649e-03]] Final stress: [ 1.14142666e-04 9.02493983e-05 1.52921362e-04 -2.05503646e-04 7.21475685e-06 2.04811994e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[-1.58410016e-04 1.34067015e-04 -1.02172236e-03] [ 1.14878336e-03 -6.89911384e-04 -1.61039691e-03] [-3.39560955e-04 8.95578691e-04 1.50107337e-03] [ 8.73846745e-05 2.90147901e-04 1.90856337e-03] [ 1.96307132e-03 -1.00446972e-03 8.11317729e-04] [-1.39853140e-03 1.04129439e-03 9.77037032e-04] [ 5.87897802e-04 -3.97189460e-04 -9.40973927e-04] [ 3.55775495e-04 -1.38252595e-05 -1.30224043e-03] [ 1.01022456e-03 9.71136894e-04 -1.34413406e-03] [ 8.47687330e-04 -1.59101108e-03 -1.37533226e-04] [-5.09940702e-04 -8.53664213e-05 2.49091816e-04] [-1.57638745e-03 -1.18943920e-03 -1.79920735e-04] [-2.00252202e-03 1.17205081e-03 1.71312023e-03] [ 1.46035039e-03 1.58429606e-03 -6.79553541e-04] [-3.09388892e-03 -7.71954379e-04 9.98017970e-05] [ 2.18011712e-03 -1.30147168e-03 3.90103476e-04] [-1.77313929e-03 -1.04905798e-03 -1.43733914e-03] [ 9.22900617e-04 1.69237583e-03 -1.10343510e-03] [ 1.74936113e-03 -1.14910203e-03 1.31852682e-03] [-1.13938951e-03 1.49490557e-03 1.01090140e-03] [-9.14216624e-04 -1.15557697e-03 -1.02617254e-03] [-7.66412888e-05 6.94970631e-04 -9.44404669e-04] [ 3.23997305e-04 -7.71876083e-04 9.33246589e-04] [ 3.45077076e-04 1.19942785e-03 8.15042998e-04]] Final stress: [ 1.10735218e-04 8.75667794e-05 1.48427515e-04 -2.05520183e-04 -6.96361724e-06 -2.04867817e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-7.57710786e-05 -4.97142352e-04 -7.91357252e-05] [ 5.41264849e-04 2.83970829e-04 3.00421841e-04] [ 7.57710773e-05 -4.97142350e-04 7.91357240e-05] [-5.41264846e-04 2.83970826e-04 -3.00421844e-04] [ 1.12510223e-04 -3.30545987e-04 2.03750106e-04] [ 1.24366317e-04 1.15618128e-04 5.18668084e-04] [-1.12510219e-04 -3.30545993e-04 -2.03750101e-04] [-1.24366321e-04 1.15618134e-04 -5.18668077e-04] [ 5.14445813e-04 6.13570475e-04 -3.26564900e-04] [ 2.36667665e-04 -3.00030398e-05 2.09057726e-04] [-2.36667665e-04 -3.00030423e-05 -2.09057722e-04] [-5.14445818e-04 6.13570477e-04 3.26564897e-04] [-8.24461242e-05 -7.57332569e-05 3.09788381e-04] [ 8.24461243e-05 -7.57332569e-05 -3.09788381e-04] [ 2.37173999e-04 -5.28501382e-05 2.13090219e-04] [-2.37174000e-04 -5.28501377e-05 -2.13090218e-04] [ 1.20236382e-04 -2.88090387e-04 -1.61141760e-05] [-2.50041998e-05 2.65538357e-04 -6.06288014e-06] [-1.20236383e-04 -2.88090393e-04 1.61141706e-05] [ 2.50042033e-05 2.65538360e-04 6.06287709e-06] [-1.30529664e-04 -1.47274666e-04 1.41195583e-04] [ 2.23855918e-05 1.42942038e-04 3.46794600e-04] [ 1.30529670e-04 -1.47274663e-04 -1.41195583e-04] [-2.23855963e-05 1.42942038e-04 -3.46794601e-04]] Final stress: [ 2.05261092e-05 2.56956468e-05 7.87113691e-06 3.81178625e-15 4.11276449e-04 -3.28296419e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-5.42275547e-04 -2.86553831e-04 2.99204489e-04] [ 7.65267208e-05 4.97874877e-04 -7.99465327e-05] [ 5.42275547e-04 -2.86553830e-04 -2.99204489e-04] [-7.65267217e-05 4.97874878e-04 7.99465342e-05] [-1.21714381e-04 -1.13603862e-04 5.22093297e-04] [-1.12128222e-04 3.30985991e-04 2.04284070e-04] [ 1.21714380e-04 -1.13603863e-04 -5.22093298e-04] [ 1.12128223e-04 3.30985990e-04 -2.04284069e-04] [ 2.39485857e-04 3.14812572e-05 -2.07669037e-04] [ 5.16455242e-04 -6.13204614e-04 3.23314159e-04] [-5.16455238e-04 -6.13204612e-04 -3.23314163e-04] [-2.39485854e-04 3.14812538e-05 2.07669041e-04] [ 2.36859571e-04 5.05876385e-05 -2.12314491e-04] [-2.36859569e-04 5.05876402e-05 2.12314492e-04] [-8.17830226e-05 7.63134987e-05 -3.07130768e-04] [ 8.17830215e-05 7.63134992e-05 3.07130769e-04] [ 3.08024924e-05 -2.65303134e-04 -5.84572857e-06] [-1.20839964e-04 2.87082288e-04 -1.45717586e-05] [-3.08024981e-05 -2.65303136e-04 5.84573207e-06] [ 1.20839958e-04 2.87082291e-04 1.45717555e-05] [-2.20019927e-05 -1.42515025e-04 3.47727429e-04] [ 1.29056918e-04 1.46854918e-04 1.47514058e-04] [ 2.20019952e-05 -1.42515028e-04 -3.47727433e-04] [-1.29056918e-04 1.46854915e-04 -1.47514058e-04]] Final stress: [ 2.05224114e-05 2.56613767e-05 7.85609050e-06 8.63882735e-15 -4.11275089e-04 -3.11042181e-15] Minimization converged after 154 steps. Minimization converged after 166 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 40 steps. Final forces: [[ 4.92880489e-04 -1.16345660e-03 -8.11782810e-04] [-5.50627785e-04 1.12236261e-03 1.89478785e-04] [-4.35097990e-05 -7.34229056e-04 1.29275092e-04] [-1.98301007e-04 1.35833478e-03 -9.03865220e-05] [ 5.47534084e-05 2.70616944e-04 3.17501164e-04] [ 8.27433409e-04 -1.13421154e-04 1.18861691e-03] [-6.43638286e-04 -9.34393526e-04 -8.18097742e-04] [ 1.05096697e-03 -1.30751160e-04 -4.57278463e-04] [ 9.17090786e-04 3.84031653e-04 -1.32642763e-03] [ 7.13925609e-04 -8.49719049e-05 1.88507604e-03] [-1.14127904e-03 -4.32549938e-04 -1.05416530e-03] [-8.25568241e-04 1.12710346e-03 1.45880489e-03] [-6.42291177e-04 6.66280956e-04 1.03785078e-03] [ 6.80576704e-04 6.46342907e-04 -1.36303439e-03] [ 1.11688815e-05 -7.91676817e-04 -2.90131651e-04] [ 2.32993359e-04 -8.04172978e-04 -3.74732766e-04] [-1.10771956e-03 -8.24037833e-04 -4.70735483e-04] [ 7.77959035e-04 7.73473268e-04 -1.38209983e-03] [ 5.64732244e-04 -8.65974657e-04 1.32436252e-03] [-9.69316527e-04 7.27442584e-04 6.83340604e-04] [-4.57721348e-04 -4.82787157e-04 -6.69570651e-05] [ 3.23388715e-04 7.55488184e-04 2.36732055e-06] [ 7.57647955e-04 -8.84497418e-04 4.76393818e-04] [-8.25544786e-04 4.15442850e-04 -1.87238270e-04]] Final stress: [ 5.98589691e-05 1.02859462e-04 7.57559739e-05 4.08802750e-06 -2.05343725e-04 2.05644675e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 39 steps. Final forces: [[ 1.63754348e-04 -5.19948240e-04 -4.27967222e-05] [ 1.82010669e-04 9.92991757e-04 2.83706948e-05] [-3.73639412e-04 -9.06143370e-04 5.79422556e-04] [ 3.60417358e-04 9.34827014e-04 -8.68960666e-05] [ 5.21882358e-04 -6.58011112e-04 5.31838138e-04] [-8.57475404e-04 -1.00397762e-04 4.57076082e-04] [ 7.81476235e-06 6.51313033e-05 -3.57514507e-04] [-6.52610252e-04 -1.06376329e-04 -6.90347707e-04] [ 6.55982800e-04 8.76591178e-04 -1.03029153e-03] [ 7.44228035e-04 -3.94515036e-04 8.13054811e-04] [-4.23684968e-04 5.62894439e-05 -1.77319032e-03] [-6.04543193e-04 1.33520684e-04 1.19926779e-03] [-5.03647370e-04 3.79521577e-04 1.03794387e-03] [ 5.86742127e-04 5.68581067e-04 -7.84623426e-04] [-2.90602889e-04 -4.19620400e-04 2.76335623e-04] [-2.01848263e-06 -7.03260442e-04 1.26058176e-04] [-4.62612402e-04 -7.76481649e-04 -7.65349710e-04] [ 7.32758945e-04 4.97176115e-04 -7.77046777e-04] [ 9.68617694e-04 -5.93943689e-04 4.78567084e-04] [-6.90300221e-04 7.56174617e-04 9.05070784e-04] [-7.50423598e-04 -5.35523577e-04 -5.54328904e-04] [ 5.79909338e-04 6.03508733e-04 2.45917142e-04] [ 4.46121787e-04 -4.78416089e-04 -2.46101055e-05] [-3.38682031e-04 3.28324205e-04 2.08073022e-04]] Final stress: [ 4.57450662e-05 7.89769966e-05 5.87407060e-05 -4.03974976e-06 -2.05455780e-04 -2.05739625e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-7.98241009e-05 -7.66167468e-05 -4.98070508e-04] [ 7.98241080e-05 7.66167540e-05 -4.98070516e-04] [-2.99278147e-04 -5.42577841e-04 2.85563208e-04] [ 2.99278152e-04 5.42577836e-04 2.85563203e-04] [ 3.09518843e-04 -8.24988801e-05 -7.61415455e-05] [-3.09518845e-04 8.24988773e-05 -7.61415481e-05] [ 2.12947812e-04 2.37292827e-04 -5.24941502e-05] [-2.12947812e-04 -2.37292828e-04 -5.24941493e-05] [ 2.04278484e-04 1.12497015e-04 -3.30801047e-04] [ 5.20117866e-04 1.23729041e-04 1.15614293e-04] [-2.04278495e-04 -1.12497025e-04 -3.30801030e-04] [-5.20117882e-04 -1.23729028e-04 1.15614275e-04] [-3.26090770e-04 5.16018377e-04 6.14301270e-04] [ 2.08973974e-04 2.37363758e-04 -3.01095486e-05] [-2.08973965e-04 -2.37363767e-04 -3.01095553e-05] [ 3.26090762e-04 -5.16018375e-04 6.14301274e-04] [-1.55165104e-05 1.20885144e-04 -2.87695987e-04] [ 1.55165096e-05 -1.20885137e-04 -2.87695979e-04] [ 4.51407322e-06 2.73925291e-05 2.65186439e-04] [-4.51405929e-06 -2.73925308e-05 2.65186453e-04] [ 1.42936530e-04 -1.29682387e-04 -1.47869863e-04] [-1.42936523e-04 1.29682374e-04 -1.47869867e-04] [-3.47493671e-04 -2.18672080e-05 1.42517447e-04] [ 3.47493667e-04 2.18672210e-05 1.42517432e-04]] Final stress: [7.87755122e-06 2.05421485e-05 2.57068106e-05 2.50498082e-14 1.22445385e-14 4.11272716e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[ 0.00022622 -0.00417351 -0.00208059] [-0.00022622 0.00417351 -0.00208059] [ 0.00171171 -0.00108035 0.00384864] [-0.00171171 0.00108035 0.00384864] [-0.00101977 0.0019841 0.00048479] [ 0.00101977 -0.0019841 0.00048479] [-0.001732 -0.00204961 0.00110534] [ 0.001732 0.00204961 0.00110534] [ 0.00340619 -0.0007317 -0.00149232] [ 0.00204297 -0.00077339 0.00186364] [-0.00340619 0.0007317 -0.00149232] [-0.00204297 0.00077339 0.00186364] [-0.0011498 0.00192874 -0.00039275] [ 0.00198155 0.00346495 -0.00388487] [-0.00198155 -0.00346495 -0.00388487] [ 0.0011498 -0.00192874 -0.00039275] [ 0.00105274 0.00080641 -0.00124179] [-0.00105274 -0.00080641 -0.00124179] [-0.00056692 0.00098727 0.00185997] [ 0.00056692 -0.00098727 0.00185997] [ 0.00323213 0.00135431 -0.00099282] [-0.00323213 -0.00135431 -0.00099282] [-0.00104142 -0.00017119 0.00092277] [ 0.00104142 0.00017119 0.00092277]] Final stress: [ 7.36322687e-05 1.38764894e-04 1.56666187e-04 -1.35773420e-14 1.10512518e-13 -4.10729959e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00099373 -0.00052914 -0.00013012] [ 0.00099373 0.00052914 -0.00013012] [ 0.00099373 -0.00052914 0.00013012] [-0.00099373 0.00052914 0.00013012] [-0.00171319 0.00410513 -0.0019445 ] [ 0.00171319 -0.00410513 -0.0019445 ] [ 0.00171319 0.00410513 0.0019445 ] [-0.00171319 -0.00410513 0.0019445 ] [ 0.00083804 -0.00460168 -0.00077306] [ 0.00083804 0.00460168 0.00077306] [-0.00083804 0.00460168 -0.00077306] [-0.00083804 -0.00460168 0.00077306] [ 0.00225866 0.00147182 -0.00057151] [-0.00225866 0.00147182 0.00057151] [ 0.00225866 -0.00147182 0.00057151] [-0.00225866 -0.00147182 -0.00057151] [ 0.00255901 0.00131323 -0.00330087] [-0.00255901 -0.00131323 -0.00330087] [-0.00255901 0.00131323 0.00330087] [ 0.00255901 -0.00131323 0.00330087] [ 0.003691 -0.00096972 -0.00037506] [-0.003691 0.00096972 -0.00037506] [-0.003691 -0.00096972 0.00037506] [ 0.003691 0.00096972 0.00037506]] Final stress: [ 1.39495443e-04 5.04701140e-05 4.01285441e-05 -2.08632844e-14 1.34727971e-15 -4.31521143e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 1.43023555e-03 7.65809866e-04 9.52092372e-05] [-1.43023554e-03 -7.65809865e-04 9.52092361e-05] [-1.43023555e-03 7.65809867e-04 -9.52092378e-05] [ 1.43023555e-03 -7.65809866e-04 -9.52092367e-05] [ 1.58660618e-03 -3.67835266e-03 8.78791951e-04] [-1.58660618e-03 3.67835266e-03 8.78791949e-04] [-1.58660618e-03 -3.67835267e-03 -8.78791949e-04] [ 1.58660618e-03 3.67835267e-03 -8.78791948e-04] [ 2.47207373e-04 4.97620997e-03 1.03842409e-03] [ 2.47207373e-04 -4.97620996e-03 -1.03842409e-03] [-2.47207373e-04 -4.97620997e-03 1.03842409e-03] [-2.47207373e-04 4.97620996e-03 -1.03842409e-03] [-5.38882829e-04 -3.64439693e-04 9.64964950e-04] [ 5.38882830e-04 -3.64439694e-04 -9.64964950e-04] [-5.38882827e-04 3.64439691e-04 -9.64964952e-04] [ 5.38882828e-04 3.64439693e-04 9.64964951e-04] [-2.57951127e-03 -7.88006060e-04 2.35357849e-03] [ 2.57951127e-03 7.88006062e-04 2.35357849e-03] [ 2.57951127e-03 -7.88006064e-04 -2.35357849e-03] [-2.57951127e-03 7.88006063e-04 -2.35357849e-03] [-1.69028548e-03 1.14450043e-03 2.59526692e-05] [ 1.69028548e-03 -1.14450043e-03 2.59526707e-05] [ 1.69028548e-03 1.14450043e-03 -2.59526691e-05] [-1.69028548e-03 -1.14450043e-03 -2.59526723e-05]] Final stress: [-1.49999155e-04 -4.60970753e-05 -5.08296618e-05 3.04117989e-15 1.26970163e-15 -2.14345514e-15] Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.02255001 -0.04167692 0.04829266] [-0.02255001 0.04167692 0.04829266] [-0.02255001 -0.04167692 -0.04829266] [ 0.02255001 0.04167692 -0.04829266] [-0.03590445 0.03464021 0.07201646] [ 0.03590445 -0.03464021 0.07201646] [ 0.03590445 0.03464021 -0.07201646] [-0.03590445 -0.03464021 -0.07201646] [ 0.03905531 0.06013398 0.10606084] [ 0.03905531 -0.06013398 -0.10606084] [-0.03905531 -0.06013398 0.10606084] [-0.03905531 0.06013398 -0.10606084] [-0.13655675 -0.04184709 -0.00174088] [ 0.13655675 -0.04184709 0.00174088] [-0.13655675 0.04184709 0.00174088] [ 0.13655675 0.04184709 -0.00174088] [ 0.07556359 -0.07209846 -0.0214012 ] [-0.07556359 0.07209846 -0.0214012 ] [-0.07556359 -0.07209847 0.0214012 ] [ 0.07556359 0.07209847 0.0214012 ] [-0.02096288 0.04666986 0.01654046] [ 0.02096288 -0.04666986 0.01654046] [ 0.02096288 0.04666986 -0.01654046] [-0.02096288 -0.04666986 -0.01654046]] Final stress: [ 6.62339355e-04 1.14212775e-03 1.10664679e-03 1.62561754e-13 3.15203107e-14 -5.53038170e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00154488 0.00311634 -0.00120414] [ 0.00154488 -0.00311634 -0.00120414] [ 0.00154488 0.00311634 0.00120414] [-0.00154488 -0.00311634 0.00120414] [ 0.00311284 0.00135069 0.00010342] [-0.00311284 -0.00135069 0.00010342] [-0.00311284 0.00135069 -0.00010342] [ 0.00311284 -0.00135069 -0.00010342] [ 0.00052684 -0.00125771 -0.00211402] [ 0.00052684 0.00125771 0.00211402] [-0.00052684 0.00125771 -0.00211402] [-0.00052684 -0.00125771 0.00211402] [ 0.00224048 0.00066089 -0.00104927] [-0.00224048 0.00066089 0.00104927] [ 0.00224048 -0.00066089 0.00104927] [-0.00224048 -0.00066089 -0.00104927] [-0.00025563 0.00082606 -0.00011305] [ 0.00025563 -0.00082606 -0.00011305] [ 0.00025563 0.00082606 0.00011305] [-0.00025563 -0.00082606 0.00011305] [-0.00118722 -0.00075862 0.00267774] [ 0.00118722 0.00075862 0.00267774] [ 0.00118722 -0.00075862 -0.00267774] [-0.00118722 0.00075862 -0.00267774]] Final stress: [-4.87656820e-05 4.43206204e-05 7.18895301e-06 -1.12455789e-14 4.88400006e-15 -1.21033087e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 40 steps. Final forces: [[-0.00803335 -0.01756627 -0.02147469] [ 0.00803335 0.01756627 -0.02147469] [ 0.00803335 -0.01756627 0.02147469] [-0.00803335 0.01756627 0.02147469] [-0.02408161 -0.03161406 -0.03120471] [ 0.02408161 0.03161406 -0.03120471] [ 0.02408161 -0.03161406 0.03120471] [-0.0240816 0.03161406 0.03120471] [ 0.07125143 -0.03870556 -0.00826518] [ 0.07125143 0.03870556 0.00826518] [-0.07125143 0.03870556 -0.00826518] [-0.07125143 -0.03870556 0.00826518] [-0.06217622 -0.01849558 -0.05204124] [ 0.06217622 -0.01849558 0.05204124] [-0.06217622 0.01849558 0.05204124] [ 0.06217622 0.01849558 -0.05204124] [ 0.02696635 -0.00887347 0.00215256] [-0.02696635 0.00887347 0.00215256] [-0.02696635 -0.00887347 -0.00215256] [ 0.02696635 0.00887347 -0.00215256] [ 0.07042783 0.03133011 -0.04754335] [-0.07042783 -0.03133011 -0.04754335] [-0.07042783 0.03133011 0.04754335] [ 0.07042783 -0.03133011 0.04754335]] Final stress: [7.61827693e-03 4.65715742e-03 2.21012435e-03 1.53405294e-12 3.32306389e-12 7.75692212e-13] Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00313187 -0.00119765 -0.00156581] [-0.00313187 0.00119765 -0.00156581] [-0.00313187 -0.00119765 0.00156581] [ 0.00313187 0.00119765 0.00156581] [-0.0012703 -0.00211407 0.00053548] [ 0.0012703 0.00211407 0.00053548] [ 0.0012703 -0.00211407 -0.00053548] [-0.0012703 0.00211407 -0.00053548] [ 0.00065666 -0.00102871 0.00223908] [ 0.00065666 0.00102871 -0.00223908] [-0.00065666 0.00102871 0.00223908] [-0.00065666 -0.00102871 -0.00223908] [ 0.00135566 0.00010219 0.00310653] [-0.00135566 0.00010219 -0.00310653] [ 0.00135566 -0.00010219 -0.00310653] [-0.00135566 -0.00010219 0.00310653] [ 0.00081303 -0.00012264 -0.00023224] [-0.00081303 0.00012264 -0.00023224] [-0.00081303 -0.00012264 0.00023224] [ 0.00081303 0.00012264 0.00023224] [-0.00075838 0.00266526 -0.00117288] [ 0.00075838 -0.00266526 -0.00117288] [ 0.00075838 0.00266526 0.00117288] [-0.00075838 -0.00266526 0.00117288]] Final stress: [ 4.41891127e-05 7.20737143e-06 -4.86462717e-05 1.26353407e-14 -2.03099472e-14 3.16817669e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.04206527 0.04818569 0.02321938] [ 0.04206527 -0.04818569 0.02321938] [ 0.04206527 0.04818569 -0.02321938] [-0.04206527 -0.04818569 -0.02321938] [ 0.06073883 0.1063199 0.03942655] [-0.06073883 -0.1063199 0.03942655] [-0.06073883 0.1063199 -0.03942655] [ 0.06073883 -0.1063199 -0.03942655] [-0.04205269 -0.00266883 -0.13694998] [-0.04205269 0.00266883 0.13694998] [ 0.04205269 0.00266883 -0.13694998] [ 0.04205269 -0.00266883 0.13694998] [ 0.03474221 0.07210128 -0.03550511] [-0.03474221 0.07210128 0.03550511] [ 0.03474221 -0.07210128 0.03550511] [-0.03474221 -0.07210128 -0.03550511] [-0.07211832 -0.021446 0.07563878] [ 0.07211832 0.021446 0.07563878] [ 0.07211832 -0.021446 -0.07563878] [-0.07211832 0.021446 -0.07563878] [ 0.04664974 0.01707756 -0.02139645] [-0.04664974 -0.01707756 -0.02139645] [-0.04664974 0.01707756 0.02139645] [ 0.04664974 -0.01707756 0.02139645]] Final stress: [ 1.14405447e-03 1.11060180e-03 6.64820289e-04 4.40344516e-13 -4.34413131e-14 1.87236428e-13] Minimization converged after 63 steps. Minimization converged after 101 steps. Minimization converged after 95 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 75 steps. Final forces: [[-3.61026092e-04 -4.38278311e-03 1.58673426e-03] [ 3.88025468e-03 7.69760646e-04 5.19633554e-03] [ 3.88027393e-03 -7.69772556e-04 -5.19631644e-03] [-3.61062695e-04 4.38279726e-03 -1.58670966e-03] [ 6.09502089e-04 9.31965238e-05 -4.86642925e-04] [-2.19661208e-03 5.40905556e-03 3.36330927e-03] [-2.19662435e-03 -5.40904998e-03 -3.36330916e-03] [ 6.09546411e-04 -9.32341967e-05 4.86619556e-04] [ 3.83360347e-05 3.66288171e-03 -6.42814441e-03] [ 3.82896237e-05 -3.66286366e-03 6.42818046e-03] [ 2.29597686e-03 6.52899341e-03 -9.12894239e-04] [ 2.29598459e-03 -6.52899262e-03 9.12894673e-04] [-7.13555322e-03 -5.41955597e-03 1.31428204e-03] [-1.59552981e-03 4.09195948e-03 -1.77432370e-03] [-7.13551626e-03 5.41953528e-03 -1.31428934e-03] [-1.59551791e-03 -4.09194844e-03 1.77431483e-03] [ 3.98497220e-04 4.79883782e-03 -2.94745410e-03] [ 4.53887756e-03 -6.31983045e-03 -5.74476678e-03] [ 4.53891186e-03 6.31984477e-03 5.74476491e-03] [ 3.98529411e-04 -4.79883490e-03 2.94744820e-03] [ 6.31080173e-03 -2.78165901e-03 -1.30327455e-03] [-6.78356839e-03 -3.62880020e-03 -2.76751051e-03] [-6.78363369e-03 3.62880226e-03 2.76747886e-03] [ 6.31086251e-03 2.78166038e-03 1.30327320e-03]] Final stress: [ 1.21168099e-02 3.60477715e-03 3.64914780e-03 -1.86755845e-04 2.51694351e-11 5.05557957e-11] Minimization converged after 103 steps. Minimization converged after 111 steps. Minimization converged after 86 steps. Minimization converged after 84 steps. Minimization converged after 96 steps. Minimization converged after 96 steps. Minimization converged after 82 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00012873 -0.00099253 -0.00052803] [ 0.00012873 0.00099253 -0.00052803] [ 0.00012873 -0.00099253 0.00052803] [-0.00012873 0.00099253 0.00052803] [-0.00057047 0.00226082 0.00147059] [ 0.00057047 -0.00226082 0.00147059] [ 0.00057047 0.00226082 -0.00147059] [-0.00057047 -0.00226082 -0.00147059] [-0.00194473 -0.00171301 0.00410649] [-0.00194473 0.00171301 -0.00410649] [ 0.00194473 0.00171301 0.00410649] [ 0.00194473 -0.00171301 -0.00410649] [-0.00077111 0.0008349 -0.00460174] [ 0.00077111 0.0008349 0.00460174] [-0.00077111 -0.0008349 0.00460174] [ 0.00077111 -0.0008349 -0.00460174] [-0.00330175 0.00255638 0.0013119 ] [ 0.00330175 -0.00255638 0.0013119 ] [ 0.00330175 0.00255638 -0.0013119 ] [-0.00330175 -0.00255638 -0.0013119 ] [-0.00037503 0.00369022 -0.00097088] [ 0.00037503 -0.00369022 -0.00097088] [ 0.00037503 0.00369022 0.00097088] [-0.00037503 -0.00369022 0.00097088]] Final stress: [ 4.00620166e-05 1.39406602e-04 5.04069759e-05 -1.04748219e-14 -4.79357178e-15 9.12027139e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 9.52152700e-05 1.43025393e-03 7.65820244e-04] [-9.52152700e-05 -1.43025393e-03 7.65820244e-04] [-9.52152701e-05 1.43025393e-03 -7.65820245e-04] [ 9.52152696e-05 -1.43025393e-03 -7.65820244e-04] [ 9.64961155e-04 -5.38870526e-04 -3.64441996e-04] [-9.64961156e-04 5.38870526e-04 -3.64441996e-04] [-9.64961156e-04 -5.38870526e-04 3.64441996e-04] [ 9.64961156e-04 5.38870525e-04 3.64441996e-04] [ 8.78788264e-04 1.58660344e-03 -3.67834980e-03] [ 8.78788261e-04 -1.58660344e-03 3.67834981e-03] [-8.78788262e-04 -1.58660344e-03 -3.67834981e-03] [-8.78788262e-04 1.58660344e-03 3.67834981e-03] [ 1.03841034e-03 2.47187588e-04 4.97620303e-03] [-1.03841034e-03 2.47187588e-04 -4.97620303e-03] [ 1.03841034e-03 -2.47187588e-04 -4.97620303e-03] [-1.03841034e-03 -2.47187589e-04 4.97620303e-03] [ 2.35358910e-03 -2.57952952e-03 -7.88016410e-04] [-2.35358911e-03 2.57952952e-03 -7.88016411e-04] [-2.35358910e-03 -2.57952952e-03 7.88016410e-04] [ 2.35358910e-03 2.57952952e-03 7.88016410e-04] [ 2.59555622e-05 -1.69027074e-03 1.14452085e-03] [-2.59555615e-05 1.69027074e-03 1.14452085e-03] [-2.59555639e-05 -1.69027074e-03 -1.14452085e-03] [ 2.59555631e-05 1.69027074e-03 -1.14452085e-03]] Final stress: [-5.08301860e-05 -1.49999976e-04 -4.60976094e-05 -3.23360502e-15 3.25632747e-15 1.31299552e-15] Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.04824591 0.02298342 -0.04193427] [-0.04824591 -0.02298342 -0.04193427] [-0.04824591 0.02298342 0.04193427] [ 0.04824591 -0.02298342 0.04193427] [-0.00230347 -0.13684822 -0.04190934] [ 0.00230347 0.13684822 -0.04190934] [ 0.00230347 -0.13684822 0.04190934] [-0.00230347 0.13684822 0.04190934] [ 0.07218161 -0.03567696 0.03469908] [ 0.07218161 0.03567696 -0.03469908] [-0.07218161 0.03567696 0.03469908] [-0.07218161 -0.03567696 -0.03469908] [ 0.10628911 0.03917111 0.06054215] [-0.10628911 0.03917111 -0.06054215] [ 0.10628911 -0.03917111 -0.06054215] [-0.10628911 -0.03917111 0.06054215] [-0.02137207 0.07549358 -0.07204765] [ 0.02137207 -0.07549358 -0.07204765] [ 0.02137207 0.07549358 0.07204765] [-0.02137207 -0.07549358 0.07204765] [ 0.01697456 -0.02133291 0.04668505] [-0.01697456 0.02133291 0.04668505] [-0.01697456 -0.02133291 -0.04668505] [ 0.01697456 0.02133291 -0.04668505]] Final stress: [ 1.10979865e-03 6.64003458e-04 1.14442407e-03 -2.57607243e-13 -1.78171242e-13 2.20589165e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.20443175e-03 -1.54966988e-03 3.12222927e-03] [ 1.20443176e-03 1.54966988e-03 3.12222927e-03] [ 1.20443175e-03 -1.54966988e-03 -3.12222927e-03] [-1.20443175e-03 1.54966988e-03 -3.12222927e-03] [-1.04590730e-03 2.24995021e-03 6.53688740e-04] [ 1.04590730e-03 -2.24995022e-03 6.53688744e-04] [ 1.04590730e-03 2.24995021e-03 -6.53688738e-04] [-1.04590730e-03 -2.24995021e-03 -6.53688743e-04] [ 9.12594011e-05 3.11816869e-03 1.35594459e-03] [ 9.12593998e-05 -3.11816869e-03 -1.35594458e-03] [-9.12594034e-05 -3.11816869e-03 1.35594459e-03] [-9.12594071e-05 3.11816870e-03 -1.35594459e-03] [-2.12426837e-03 5.49473923e-04 -1.26436314e-03] [ 2.12426836e-03 5.49473929e-04 1.26436313e-03] [-2.12426837e-03 -5.49473921e-04 1.26436314e-03] [ 2.12426836e-03 -5.49473925e-04 -1.26436313e-03] [-1.21010347e-04 -2.29020736e-04 8.07826802e-04] [ 1.21010353e-04 2.29020730e-04 8.07826810e-04] [ 1.21010353e-04 -2.29020736e-04 -8.07826807e-04] [-1.21010345e-04 2.29020737e-04 -8.07826804e-04] [ 2.65765947e-03 -1.16398811e-03 -7.59224434e-04] [-2.65765947e-03 1.16398810e-03 -7.59224440e-04] [-2.65765946e-03 -1.16398810e-03 7.59224434e-04] [ 2.65765947e-03 1.16398810e-03 7.59224443e-04]] Final stress: [ 7.20714489e-06 -4.87378038e-05 4.42737503e-05 -2.81651186e-15 -3.48540799e-15 -4.48836248e-15] Minimization converged after 63 steps. Minimization converged after 102 steps. Minimization converged after 97 steps. Minimization converged after 82 steps. Minimization converged after 85 steps. Minimization converged after 101 steps. Minimization converged after 107 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 80 steps. Final forces: [[ 1.41401107e-02 -9.33217777e-03 -1.91776795e-03] [-5.44686212e-03 -9.42360337e-03 3.93296790e-06] [-1.41400970e-02 -9.33219105e-03 1.91777628e-03] [ 5.44685161e-03 -9.42359056e-03 -3.92781521e-06] [ 1.42973833e-03 -1.71096133e-02 -1.48243537e-02] [-6.05403538e-03 8.14396246e-04 4.85245616e-03] [-1.42974542e-03 -1.71096048e-02 1.48243452e-02] [ 6.05404517e-03 8.14383563e-04 -4.85246943e-03] [ 1.65267066e-03 2.38930879e-03 3.40019214e-03] [ 2.99751373e-03 6.93657987e-04 1.08165226e-02] [-2.99751540e-03 6.93665359e-04 -1.08165235e-02] [-1.65266982e-03 2.38931735e-03 -3.40019585e-03] [-7.64254428e-03 1.15473191e-02 6.85925392e-03] [ 7.64254338e-03 1.15473152e-02 -6.85925539e-03] [ 5.96182458e-03 9.49534021e-03 1.42988864e-02] [-5.96182692e-03 9.49533411e-03 -1.42988844e-02] [-8.93966796e-03 -1.56179573e-03 2.61152565e-03] [ 2.64882658e-03 6.21248188e-04 2.40284272e-03] [ 8.93966915e-03 -1.56177443e-03 -2.61152425e-03] [-2.64882883e-03 6.21226412e-04 -2.40283366e-03] [-7.62504852e-03 9.45629355e-03 -5.17792583e-03] [-3.62590628e-03 2.40962734e-03 3.96618690e-03] [ 7.62503639e-03 9.45629376e-03 5.17792608e-03] [ 3.62591762e-03 2.40962399e-03 -3.96618530e-03]] Final stress: [ 3.64512770e-03 1.21564584e-02 3.60483962e-03 -2.63039903e-12 -2.18261644e-04 1.74657413e-11] Minimization converged after 113 steps. Minimization converged after 109 steps. Minimization converged after 87 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00052675 -0.0001272 -0.00099108] [ 0.00052675 0.0001272 -0.00099108] [ 0.00052675 -0.0001272 0.00099108] [-0.00052675 0.0001272 0.00099108] [-0.00460155 -0.00076908 0.00083183] [ 0.00460155 0.00076908 0.00083183] [ 0.00460155 -0.00076908 -0.00083183] [-0.00460155 0.00076908 -0.00083183] [ 0.00146935 -0.00056937 0.00226295] [ 0.00146935 0.00056937 -0.00226295] [-0.00146935 0.00056937 0.00226295] [-0.00146935 -0.00056937 -0.00226295] [ 0.00410774 -0.00194491 -0.00171276] [-0.00410774 -0.00194491 0.00171276] [ 0.00410774 0.00194491 0.00171276] [-0.00410774 0.00194491 -0.00171276] [ 0.00131058 -0.00330252 0.0025536 ] [-0.00131058 0.00330252 0.0025536 ] [-0.00131058 -0.00330252 -0.0025536 ] [ 0.00131058 0.00330252 -0.0025536 ] [-0.0009722 -0.00037508 0.00368919] [ 0.0009722 0.00037508 0.00368919] [ 0.0009722 -0.00037508 -0.00368919] [-0.0009722 0.00037508 -0.00368919]] Final stress: [ 5.03446619e-05 3.99960228e-05 1.39321840e-04 9.50566318e-15 -4.42903132e-16 -1.50033944e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 7.65832797e-04 9.52216132e-05 1.43027852e-03] [-7.65832796e-04 -9.52216121e-05 1.43027851e-03] [-7.65832796e-04 9.52216120e-05 -1.43027851e-03] [ 7.65832796e-04 -9.52216125e-05 -1.43027851e-03] [ 4.97619388e-03 1.03839000e-03 2.47163387e-04] [-4.97619388e-03 -1.03839000e-03 2.47163387e-04] [-4.97619388e-03 1.03839000e-03 -2.47163388e-04] [ 4.97619388e-03 -1.03839000e-03 -2.47163388e-04] [-3.64445586e-04 9.64957227e-04 -5.38853387e-04] [-3.64445590e-04 -9.64957225e-04 5.38853391e-04] [ 3.64445585e-04 -9.64957228e-04 -5.38853387e-04] [ 3.64445587e-04 9.64957228e-04 5.38853387e-04] [-3.67834562e-03 8.78780464e-04 1.58659909e-03] [ 3.67834562e-03 8.78780463e-04 -1.58659909e-03] [-3.67834562e-03 -8.78780464e-04 -1.58659909e-03] [ 3.67834562e-03 -8.78780464e-04 1.58659909e-03] [-7.88027625e-04 2.35360874e-03 -2.57955325e-03] [ 7.88027625e-04 -2.35360874e-03 -2.57955325e-03] [ 7.88027630e-04 2.35360874e-03 2.57955325e-03] [-7.88027627e-04 -2.35360874e-03 2.57955325e-03] [ 1.14455154e-03 2.59565559e-05 -1.69025054e-03] [-1.14455154e-03 -2.59565576e-05 -1.69025054e-03] [-1.14455154e-03 2.59565569e-05 1.69025054e-03] [ 1.14455154e-03 -2.59565548e-05 1.69025054e-03]] Final stress: [-4.60983999e-05 -5.08309670e-05 -1.50001114e-04 2.51471249e-15 2.91663987e-15 3.44973045e-15] Minimization converged after 106 steps. Minimization converged after 105 steps. Minimization converged after 84 steps. Minimization converged after 83 steps. Minimization converged after 97 steps. Minimization converged after 102 steps. Minimization converged after 82 steps. Minimization converged after 82 steps. Minimization converged after 100 steps. Minimization converged after 99 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 80 steps. Final forces: [[-3.37229476e-04 8.79013876e-03 6.17352471e-03] [ 3.37228043e-04 -8.79014292e-03 6.17352936e-03] [ 4.17226528e-03 1.33113239e-02 5.66200605e-03] [-4.17227071e-03 -1.33113159e-02 5.66201221e-03] [-1.44169009e-02 3.96518706e-03 -9.74918775e-03] [ 1.44169009e-02 -3.96518566e-03 -9.74918826e-03] [-5.34220352e-03 -8.14216904e-03 -9.90296465e-03] [ 5.34220727e-03 8.14216424e-03 -9.90296636e-03] [ 4.91568551e-03 5.73343661e-03 -2.41233071e-03] [-1.50013334e-02 -9.18501603e-04 1.64461483e-02] [-4.91567819e-03 -5.73343071e-03 -2.41233559e-03] [ 1.50013363e-02 9.18497987e-04 1.64461499e-02] [-1.23850923e-02 4.87242786e-03 -7.36337177e-04] [-4.81172687e-03 4.92131920e-03 5.21119574e-05] [ 4.81172748e-03 -4.92131739e-03 5.21090583e-05] [ 1.23850882e-02 -4.87243192e-03 -7.36336793e-04] [ 2.53091220e-03 -3.67804518e-03 -1.38206440e-03] [-2.53091822e-03 3.67804387e-03 -1.38207009e-03] [-5.99997836e-03 -6.45779125e-03 2.62138167e-03] [ 5.99998162e-03 6.45779242e-03 2.62137702e-03] [ 6.45230228e-03 2.43554140e-03 1.87563364e-03] [-6.45230342e-03 -2.43553221e-03 1.87563222e-03] [ 3.52925195e-03 -6.98796634e-03 -8.64791638e-03] [-3.52925155e-03 6.98795679e-03 -8.64791792e-03]] Final stress: [ 3.62004033e-03 3.66935265e-03 1.21603276e-02 -4.15629053e-12 -3.88523526e-13 2.04937947e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 80 steps. Final forces: [[-0.00631883 0.01245803 -0.00284794] [ 0.00631883 -0.01245803 -0.00284794] [ 0.00886391 0.00891964 0.00206399] [-0.00886391 -0.00891963 0.00206399] [ 0.0063168 -0.00569219 0.01152729] [-0.0063168 0.00569219 0.01152729] [ 0.01520456 0.00074357 0.00664498] [-0.01520456 -0.00074356 0.00664498] [-0.00833745 0.00843391 -0.01463538] [ 0.00723422 -0.00332108 -0.00186031] [ 0.00833745 -0.00843391 -0.01463538] [-0.00723422 0.00332108 -0.00186031] [ 0.00477745 0.00788795 0.00203053] [ 0.01274733 0.00833554 -0.0022717 ] [-0.01274733 -0.00833555 -0.0022717 ] [-0.00477746 -0.00788795 0.00203053] [ 0.0152375 0.00143453 0.00224588] [-0.01523751 -0.00143453 0.00224587] [-0.0099071 -0.01120253 -0.0010892 ] [ 0.0099071 0.01120253 -0.00108921] [-0.00129232 -0.00500465 0.01358523] [ 0.00129232 0.00500465 0.01358524] [-0.01958198 0.00481876 -0.01539337] [ 0.01958198 -0.00481877 -0.01539338]] Final stress: [ 3.63954500e-03 3.74156972e-03 1.21155285e-02 -7.76521110e-12 6.15815182e-12 -2.11939148e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[-7.37505631e-04 -4.62941726e-04 -5.09371502e-04] [ 6.40085989e-04 2.92623519e-04 -7.06278447e-04] [ 6.40085993e-04 -2.92623522e-04 7.06278450e-04] [-7.37505632e-04 4.62941728e-04 5.09371502e-04] [ 4.94287778e-04 1.06680543e-04 6.65289166e-04] [-1.04574958e-04 -2.08109170e-05 3.64447536e-04] [-1.04574973e-04 2.08109413e-05 -3.64447541e-04] [ 4.94287786e-04 -1.06680559e-04 -6.65289185e-04] [-1.18988358e-04 1.55898601e-04 -9.08122824e-05] [-1.18988361e-04 -1.55898599e-04 9.08122877e-05] [ 2.95595933e-05 2.00963867e-04 1.29636560e-04] [ 2.95596091e-05 -2.00963872e-04 -1.29636554e-04] [-1.72249854e-04 3.17543643e-04 1.33929241e-04] [-4.37798186e-05 6.11576994e-04 -6.77181903e-05] [-1.72249863e-04 -3.17543630e-04 -1.33929231e-04] [-4.37797949e-05 -6.11576988e-04 6.77181757e-05] [ 2.43599731e-05 1.80005602e-04 4.65908261e-04] [-2.31915708e-05 -3.56672962e-04 5.45280525e-04] [-2.31915817e-05 3.56672964e-04 -5.45280509e-04] [ 2.43599527e-05 -1.80005622e-04 -4.65908264e-04] [ 7.49716764e-05 6.61138493e-04 2.49193345e-04] [-6.29748245e-05 -6.39663378e-04 2.36153900e-04] [-6.29748343e-05 6.39663357e-04 -2.36153912e-04] [ 7.49717032e-05 -6.61138478e-04 -2.49193330e-04]] Final stress: [ 1.48098012e-05 6.33001627e-06 1.49253407e-05 2.57321202e-04 -2.38206692e-14 2.92605308e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[-6.40490318e-04 -2.87348345e-04 -7.05728677e-04] [ 7.29313051e-04 4.58094963e-04 -5.02242487e-04] [ 7.29313043e-04 -4.58094954e-04 5.02242477e-04] [-6.40490320e-04 2.87348345e-04 7.05728678e-04] [ 1.08899804e-04 3.00651372e-05 3.76455361e-04] [-5.06926015e-04 -1.23307028e-04 6.73515693e-04] [-5.06926010e-04 1.23307022e-04 -6.73515694e-04] [ 1.08899797e-04 -3.00651258e-05 -3.76455347e-04] [-2.79148299e-05 -2.04866231e-04 1.26808389e-04] [-2.79148358e-05 2.04866231e-04 -1.26808390e-04] [ 1.18530027e-04 -1.56115694e-04 -9.25908567e-05] [ 1.18530026e-04 1.56115691e-04 9.25908625e-05] [ 5.79570192e-05 6.17123463e-04 7.46044034e-05] [ 1.70174859e-04 3.23515807e-04 -1.36956103e-04] [ 5.79570344e-05 -6.17123470e-04 -7.46044124e-05] [ 1.70174847e-04 -3.23515820e-04 1.36956110e-04] [ 2.08863830e-05 3.42284449e-04 5.53733625e-04] [-1.99015767e-05 -1.78461394e-04 4.70303554e-04] [-1.99015650e-05 1.78461396e-04 -4.70303560e-04] [ 2.08863955e-05 -3.42284439e-04 -5.53733622e-04] [ 6.30876210e-05 6.50258886e-04 2.39943740e-04] [-7.36160206e-05 -6.67708726e-04 2.36339829e-04] [-7.36160269e-05 6.67708725e-04 -2.36339818e-04] [ 6.30876111e-05 -6.50258888e-04 -2.39943757e-04]] Final stress: [ 1.48319930e-05 6.38659292e-06 1.50864224e-05 -2.57326101e-04 1.19864716e-14 -1.68536554e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 34 steps. Final forces: [[-1.10353333e-03 1.15637743e-04 5.88584368e-04] [ 1.27097600e-03 3.77292331e-04 -1.25352274e-04] [ 1.48909520e-03 -6.87962779e-04 -8.07572171e-04] [-1.76052179e-03 1.73848256e-04 -4.47742254e-04] [ 1.97393892e-03 -9.31137475e-04 1.62221126e-03] [-2.07187686e-03 1.02575046e-03 1.21831524e-03] [ 6.76478674e-04 -3.82634671e-03 1.70445193e-04] [-1.36467395e-03 5.01454363e-03 1.40086219e-03] [-3.96987721e-04 -3.72005047e-04 -1.02249774e-03] [ 3.31434392e-04 -1.01132849e-03 -3.04726344e-04] [-4.35681396e-04 -7.96525699e-04 -8.31027606e-04] [-3.61867475e-04 1.42811749e-03 6.48910609e-04] [-6.81110128e-04 1.34149544e-03 -6.10238152e-04] [-8.54671544e-04 -1.32838562e-03 -1.15497867e-03] [ 1.31752697e-03 -7.81411644e-05 -2.37391393e-03] [ 1.56330791e-03 -1.13992567e-03 1.14514248e-05] [-2.23938653e-03 -1.74315293e-03 -1.37184936e-03] [ 2.52781613e-03 2.14942976e-03 -1.95682013e-03] [ 6.59719547e-04 -6.94350691e-04 1.93598524e-03] [-7.84205120e-04 6.20601951e-04 1.80466814e-03] [-1.47824226e-03 -2.25268674e-03 -1.88246553e-03] [ 1.36630421e-03 1.82373227e-03 -8.48532260e-04] [ 1.35258538e-03 4.69904608e-04 2.34279796e-03] [-9.96425213e-04 3.21595085e-04 1.99348481e-03]] Final stress: [ 1.26596363e-04 9.60527913e-05 6.97344478e-05 1.28135476e-04 1.28693793e-04 -1.13459194e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 34 steps. Final forces: [[-1.79005204e-03 -1.54830362e-04 3.82731854e-04] [ 1.51732755e-03 7.89571051e-04 8.31233977e-04] [ 1.30942203e-03 -4.81616908e-04 2.50946340e-04] [-1.31123480e-03 5.16661757e-05 -4.09770555e-04] [-1.37813642e-03 -5.22670669e-03 -1.30200584e-03] [ 9.30598075e-04 4.03454828e-03 -5.02243908e-04] [-1.98760996e-03 -1.19710028e-03 -8.70281096e-04] [ 1.68325134e-03 1.41146808e-03 -1.42968497e-03] [ 1.91177749e-04 9.67773107e-04 4.50526547e-04] [-2.91756426e-04 5.33077529e-04 1.25463968e-03] [-2.74401731e-04 -1.46308546e-03 -8.33431527e-04] [-2.55202839e-05 6.80588514e-04 1.07227539e-03] [ 1.17419488e-03 -2.08600693e-04 2.32348347e-03] [ 1.74919795e-03 1.03643776e-03 -5.26058061e-05] [-8.24519234e-04 -1.34444089e-03 8.46928654e-04] [-1.06394001e-03 1.25127159e-03 1.29375619e-03] [-9.18880673e-04 -5.14406879e-04 -1.84017785e-03] [ 6.32912927e-04 4.58466706e-04 -2.26704577e-03] [ 2.68583126e-03 -2.01482783e-03 1.79153420e-03] [-2.27766150e-03 1.79258195e-03 1.25966266e-03] [-7.68314595e-04 -5.47244444e-04 -2.26741722e-03] [ 1.32935231e-03 -3.87575088e-04 -2.52623665e-03] [ 1.29738732e-03 -1.84134319e-03 6.12765166e-04] [-1.58862570e-03 2.37432797e-03 1.93041705e-03]] Final stress: [ 1.25330359e-04 9.60269486e-05 6.78956578e-05 1.28053678e-04 -1.28627246e-04 1.14448023e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[-1.01577582e-03 -3.28788597e-04 6.51586820e-04] [ 1.33035357e-03 1.51610771e-04 6.58463514e-04] [ 6.40398573e-04 1.19513314e-04 -5.40383476e-04] [-7.61847039e-04 -5.27648819e-05 -2.06314209e-04] [-8.06648692e-04 -3.61156303e-03 -8.22882179e-04] [ 1.63312532e-03 4.67160129e-03 -1.43287996e-03] [-1.50843021e-03 -6.05340158e-04 -1.23557797e-03] [ 2.15154597e-03 4.59127041e-04 -1.27334187e-03] [-2.94718926e-06 8.22411969e-04 -3.87383296e-04] [-2.26115696e-04 -4.51118636e-04 6.49490971e-04] [-5.38352739e-04 -1.29548715e-03 2.64664122e-04] [ 2.46742439e-04 -5.00259034e-04 1.21808819e-03] [ 6.98155905e-04 -7.13353583e-04 1.33238528e-03] [ 9.18877476e-04 1.11505839e-03 4.52433906e-04] [-1.26282840e-03 -7.38182318e-04 1.99878745e-04] [-1.37639057e-03 5.36369799e-04 1.83736057e-03] [-4.01340315e-04 -7.09874616e-04 -1.56813255e-03] [ 4.66021467e-04 5.17318223e-04 -1.62590815e-03] [ 2.34429710e-03 -1.36448583e-03 1.33983907e-03] [-2.46525005e-03 1.81453436e-03 1.94535204e-03] [-1.07030842e-03 3.10266986e-04 -2.13222517e-03] [ 1.09804335e-03 -7.31632242e-05 -1.92260555e-03] [ 1.14308467e-03 -2.25101896e-03 1.45599177e-03] [-1.23441070e-03 2.17758787e-03 1.14209938e-03]] Final stress: [ 9.89790169e-05 7.66286569e-05 5.46005733e-05 -1.28269842e-04 1.28680404e-04 1.08518007e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 36 steps. Final forces: [[-1.98809465e-04 -6.54941051e-06 4.05155862e-05] [ 1.91377265e-04 -1.70659436e-05 1.04559951e-04] [ 2.97709482e-04 -3.87297426e-05 -6.80801641e-05] [-2.49275019e-04 9.04346304e-05 -9.30954621e-05] [ 3.34428215e-04 -1.29640184e-04 2.22204884e-04] [-3.06261446e-04 1.34022614e-04 2.53586717e-04] [ 1.33780082e-04 -7.03669195e-04 1.32594685e-04] [-8.60454630e-05 5.70996324e-04 -9.26407253e-06] [ 4.77121868e-05 1.48698083e-04 -1.03369111e-04] [ 9.17416938e-05 -2.13967233e-04 1.02462065e-04] [ 9.85799193e-06 -2.46032980e-05 -1.11483787e-04] [-1.28741105e-04 1.58409753e-04 -2.69705849e-05] [-1.55287181e-04 1.33095487e-04 2.12081348e-05] [-1.54700242e-04 4.25280567e-05 -2.94557131e-04] [ 1.10303509e-04 7.59263813e-05 -1.66682314e-04] [ 5.49847345e-05 -1.83742926e-04 -7.45077133e-05] [-3.62989653e-04 -2.87930024e-04 -3.14263633e-04] [ 3.38494465e-04 2.44653950e-04 -2.10669718e-04] [ 1.32033274e-04 -1.69134359e-04 2.54195057e-04] [-8.85958829e-05 2.00271616e-04 2.76375704e-04] [-1.50698255e-04 -2.68360046e-04 -1.67418160e-04] [ 1.89937178e-04 3.19535173e-04 -3.09697936e-04] [ 2.07100481e-04 1.64749441e-05 2.61351761e-04] [-2.58056847e-04 -9.16546502e-05 2.81005244e-04]] Final stress: [ 2.09960188e-05 1.54432241e-05 1.12476095e-05 -1.28783566e-04 -1.28844942e-04 -1.83082060e-06] Minimization converged after 155 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-2.83320598e-04 1.46160422e-04 -4.51142971e-04] [ 1.84264289e-04 1.35682793e-04 -4.32911401e-04] [ 8.14339251e-05 3.86327246e-05 5.45510470e-04] [ 2.13857629e-05 -1.62104989e-04 3.37104964e-04] [ 3.70057678e-04 -2.04530107e-04 1.13052703e-04] [-1.84463243e-04 2.29505861e-04 8.88395933e-05] [-2.17705335e-04 6.96973476e-05 -2.16484466e-07] [-2.56307878e-05 2.60127327e-04 -1.93833958e-06] [-2.95393238e-04 3.10538545e-04 2.09612326e-04] [ 3.48706091e-04 1.45454123e-04 1.07047834e-04] [-2.72690250e-04 -3.73577034e-06 -4.04606938e-04] [-4.24432334e-06 5.38326760e-04 -2.76557054e-04] [-8.10311333e-04 4.95621365e-05 -1.02398764e-04] [ 1.13947523e-03 -1.17536635e-04 1.73098432e-04] [-4.61446712e-04 -3.10578569e-04 -3.82994717e-04] [ 4.97761800e-04 -1.06328486e-04 3.72798209e-04] [-4.02581064e-05 -6.55055950e-04 -1.99073704e-04] [ 4.50641619e-04 2.55400888e-04 -5.01032732e-04] [ 1.11740075e-04 -4.57176710e-04 3.21008096e-04] [-6.22671729e-04 3.17502792e-04 4.88886371e-04] [ 4.04382867e-05 -5.91619319e-04 -2.61102820e-04] [ 2.75151493e-04 1.38628449e-04 -3.39822803e-04] [ 1.78825667e-04 -4.95674653e-04 1.47158912e-04] [-4.81746263e-04 4.69121020e-04 4.49680819e-04]] Final stress: [ 2.52681856e-05 1.80698258e-05 3.34459121e-05 1.28748001e-04 2.49916713e-06 -1.28698441e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 36 steps. Final forces: [[-6.44829502e-05 7.40953118e-05 -4.78429255e-04] [ 4.72652725e-05 -1.13354193e-04 -3.54916253e-04] [ 1.74976143e-04 1.01919988e-04 3.62313161e-04] [-3.76152796e-05 -1.90996903e-05 3.31409065e-04] [ 2.74181846e-04 -2.94261765e-05 2.15805898e-04] [ 1.41921179e-05 2.91614809e-04 -4.90696502e-05] [-2.28427764e-04 -1.50964343e-04 -1.27852024e-04] [ 2.23236356e-04 1.93549137e-04 6.27384116e-05] [ 4.77109058e-05 4.21548226e-04 2.47266438e-04] [ 1.15336998e-04 6.42774004e-06 2.31576222e-04] [-2.02473709e-04 1.01904602e-04 -1.25096591e-04] [ 1.31247389e-05 2.57930706e-04 -6.12899405e-05] [-1.17564004e-03 -1.82380203e-04 -3.03944968e-04] [ 9.33716995e-04 -5.55601058e-05 1.33437448e-04] [-3.15921146e-04 -2.29860065e-04 -4.75873112e-04] [ 2.98019613e-04 -2.52342008e-04 3.50295932e-04] [-2.99353318e-04 -4.38044904e-04 -1.93515297e-04] [ 2.65156131e-04 2.89407678e-04 -5.47955626e-04] [ 3.00358212e-04 -4.93589042e-04 1.54547876e-04] [-3.35657001e-04 4.25496247e-04 6.03978192e-04] [ 3.58695444e-05 -4.37115058e-04 -3.82133802e-04] [ 4.94292053e-04 3.86730990e-04 -1.60887038e-04] [-8.41877188e-05 -4.83099857e-04 3.72008019e-04] [-4.93678000e-04 3.34210210e-04 1.95586894e-04]] Final stress: [ 2.36954114e-05 1.67709787e-05 3.15517371e-05 -1.28815841e-04 2.91130428e-06 1.28720193e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 34 steps. Final forces: [[-8.69318112e-05 1.23655739e-04 -1.08010691e-03] [ 6.95866882e-04 -7.56838348e-04 -1.48742235e-03] [-2.02256366e-06 5.37246548e-04 1.19639067e-03] [-1.98130359e-04 -5.16773662e-04 1.86183690e-03] [ 6.81847417e-04 -9.28969336e-04 1.83479352e-04] [-1.35057668e-03 5.55938005e-04 3.13337307e-04] [ 2.42626892e-04 -9.96510719e-04 1.51632155e-04] [ 1.20070098e-03 -2.38741560e-04 -4.92040445e-04] [ 1.05385056e-03 -8.99535490e-05 -1.53499552e-03] [-1.43650495e-04 -2.26923603e-03 -1.31822721e-03] [ 1.02763263e-03 -1.35974563e-03 9.07969865e-04] [-1.44763663e-03 -5.09504952e-04 7.49158444e-04] [-1.06564386e-03 1.27705372e-03 2.17313584e-03] [ 9.14267320e-04 1.65076071e-03 -2.00187813e-03] [-5.00740046e-03 1.24268118e-03 1.34570686e-03] [ 4.03371888e-03 3.18272271e-04 -7.02142089e-04] [-2.23558098e-03 -2.08483961e-03 -2.67314799e-03] [ 7.86272180e-04 2.05576574e-03 -6.16923001e-04] [ 1.85581776e-03 -1.41504787e-03 2.36026882e-03] [-6.59167396e-04 1.86951310e-03 8.46404088e-04] [-2.02288074e-03 -1.11244645e-03 -1.48493895e-03] [-4.03077091e-04 2.36406410e-03 -1.31293974e-03] [ 2.27866453e-03 -1.79201876e-03 1.48085243e-03] [-1.48566953e-04 2.07567537e-03 1.13458961e-03]] Final stress: [ 9.96000653e-05 7.26569813e-05 1.31216773e-04 -1.28773900e-04 -1.18651272e-05 -1.28234509e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[-5.03479046e-04 -7.31804977e-04 -4.60341464e-04] [ 7.06998417e-04 6.40338309e-04 -2.87110179e-04] [ 5.03479044e-04 -7.31804975e-04 4.60341461e-04] [-7.06998414e-04 6.40338306e-04 2.87110179e-04] [ 1.35664151e-04 -1.71580318e-04 3.20182569e-04] [-7.27818337e-05 -5.63964219e-05 6.16906644e-04] [-1.35664148e-04 -1.71580318e-04 -3.20182561e-04] [ 7.27818310e-05 -5.63964155e-05 -6.16906639e-04] [ 6.71331422e-04 5.04974309e-04 1.19725068e-04] [ 3.72038525e-04 -1.06265691e-04 -2.72378305e-05] [-3.72038513e-04 -1.06265686e-04 2.72378286e-05] [-6.71331422e-04 5.04974308e-04 -1.19725071e-04] [-9.59153541e-05 -1.19376190e-04 1.55982823e-04] [ 9.59153575e-05 -1.19376183e-04 -1.55982820e-04] [ 1.26524402e-04 2.89871538e-05 2.07406453e-04] [-1.26524407e-04 2.89871427e-05 -2.07406449e-04] [ 4.67832996e-04 1.91778782e-05 1.76397564e-04] [-5.51286204e-04 -1.91742970e-05 3.42653292e-04] [-4.67833002e-04 1.91778914e-05 -1.76397570e-04] [ 5.51286204e-04 -1.91742821e-05 -3.42653298e-04] [ 2.37405719e-04 7.57194572e-05 6.68371654e-04] [-2.38115123e-04 -6.45992247e-05 6.49070855e-04] [-2.37405714e-04 7.57194542e-05 -6.68371648e-04] [ 2.38115112e-04 -6.45992285e-05 -6.49070862e-04]] Final stress: [ 1.50784166e-05 1.48408861e-05 6.38961398e-06 -7.04611853e-15 2.57323006e-04 4.38580290e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 36 steps. Final forces: [[-7.06165449e-04 -6.39805167e-04 -1.50712108e-04] [ 4.34860396e-04 7.70098480e-04 -3.59630112e-04] [ 7.06165452e-04 -6.39805169e-04 1.50712110e-04] [-4.34860397e-04 7.70098479e-04 3.59630111e-04] [ 4.69182173e-05 -8.46214407e-05 6.14452621e-04] [-1.82994455e-04 2.74076818e-04 3.58929891e-04] [-4.69182185e-05 -8.46214382e-05 -6.14452622e-04] [ 1.82994457e-04 2.74076813e-04 -3.58929897e-04] [ 3.83138544e-04 8.19348648e-05 -1.04222782e-04] [ 6.63199127e-04 -5.38244272e-04 9.19490599e-05] [-6.63199127e-04 -5.38244270e-04 -9.19490607e-05] [-3.83138544e-04 8.19348620e-05 1.04222782e-04] [ 2.14423558e-04 -2.39269908e-06 -1.88240608e-04] [-2.14423560e-04 -2.39269914e-06 1.88240608e-04] [-3.45776946e-05 1.31753558e-04 -2.33782307e-04] [ 3.45777027e-05 1.31753557e-04 2.33782302e-04] [ 3.63476696e-04 -6.02581791e-05 2.49461235e-04] [-3.70626851e-04 8.06176320e-05 9.38668476e-05] [-3.63476700e-04 -6.02581736e-05 -2.49461231e-04] [ 3.70626854e-04 8.06176316e-05 -9.38668402e-05] [ 1.43643436e-04 -8.81059245e-06 5.79388554e-04] [-1.10690747e-04 -4.34899959e-06 4.93143597e-04] [-1.43643446e-04 -8.81059900e-06 -5.79388552e-04] [ 1.10690749e-04 -4.34899836e-06 -4.93143597e-04]] Final stress: [ 2.00335301e-05 2.21110833e-05 9.21983915e-06 -7.20265463e-15 -2.57041274e-04 -6.65451899e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 34 steps. Final forces: [[ 4.33250304e-04 -1.26847633e-03 -9.14309661e-05] [-7.41935633e-04 1.51586220e-03 -6.77980806e-04] [-5.51553498e-04 -1.87744377e-03 2.33883843e-04] [ 6.62587807e-05 1.16106931e-03 1.43500497e-04] [-5.42335286e-04 -8.16687051e-04 1.54507060e-03] [-1.43789384e-03 -9.02400836e-04 -9.90043419e-04] [-2.24434510e-03 1.36729485e-03 2.77728648e-04] [-1.00295190e-04 1.57659615e-03 -1.04480024e-03] [ 1.60052851e-03 1.92932057e-03 -1.03575201e-03] [ 1.30612731e-03 -2.20802754e-03 1.11004662e-03] [ 3.25205094e-04 7.37349361e-04 -4.04391937e-03] [ 1.25998973e-03 -1.36068070e-03 5.12559482e-03] [-1.10848381e-03 -1.00440226e-04 -2.70479073e-04] [-2.49341101e-04 5.48993428e-04 -1.25522360e-03] [-9.00626265e-04 -1.48112596e-04 -6.63523375e-04] [ 5.91855660e-04 -1.90818630e-04 1.32595598e-03] [-1.33884376e-03 -2.36580759e-03 -1.89746758e-03] [ 2.10510131e-03 5.91104242e-04 -7.77486734e-04] [ 1.90385769e-03 -9.40836227e-04 5.49196740e-04] [-2.09148298e-03 2.67153867e-03 2.24647422e-03] [-1.77667908e-03 -1.56388045e-03 -2.27987338e-03] [ 2.37335174e-03 1.27624585e-03 3.23703471e-04] [ 2.16180331e-03 -1.07886392e-03 1.67595350e-04] [-1.04351390e-03 1.44710123e-03 1.97922978e-03]] Final stress: [ 7.34640802e-05 1.32600179e-04 1.00908054e-04 -1.18861339e-05 1.28147322e-04 1.28657718e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 1.03348919e-04 -7.73775662e-04 -1.49584449e-04] [ 4.84280273e-05 5.25839997e-04 -1.34142155e-04] [-1.53244275e-04 -5.44843447e-04 6.84795642e-05] [ 1.93325696e-04 6.28048066e-04 3.65534840e-04] [ 7.42240793e-04 3.62108172e-04 -9.98119717e-05] [-7.47731642e-05 3.39819116e-04 4.16896549e-04] [ 1.36314000e-04 -1.77666593e-04 -5.41306623e-04] [ 5.01417067e-04 -2.92880629e-04 2.17177179e-04] [-2.35635157e-05 -2.20140322e-04 -1.44879575e-03] [ 5.79413594e-05 1.00871544e-04 1.24089851e-03] [-3.89472161e-04 -7.48715311e-04 -4.68216288e-04] [-5.46482371e-04 6.51666250e-04 4.56020718e-04] [-1.04861343e-05 1.35409558e-04 3.45070792e-04] [ 1.87671479e-04 1.87502284e-04 -5.22458226e-05] [-1.88447771e-04 -1.44800047e-04 -4.46988557e-04] [ 1.69218041e-04 -1.10214511e-04 3.53988880e-04] [-7.27729217e-04 -3.50491683e-04 -1.95230162e-04] [ 4.99350828e-04 6.17816007e-04 -7.62266882e-04] [ 4.42239389e-04 -6.57846568e-04 7.52141145e-04] [-7.26391025e-04 3.14356116e-04 2.53121117e-04] [-6.25397122e-04 -3.37683736e-04 -6.15609592e-05] [ 4.29146226e-04 5.00606971e-04 -5.08337922e-04] [ 5.89713802e-04 -4.77357585e-04 4.98217378e-04] [-6.34368872e-04 4.72372011e-04 -9.90591297e-05]] Final stress: [ 2.74438354e-05 4.87323203e-05 3.66157760e-05 3.84571751e-06 1.29090182e-04 -1.29193506e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 1.10290994e-04 -4.10116988e-04 -1.90825661e-04] [-2.77333314e-04 1.80047082e-04 1.21456219e-04] [ 2.54954749e-05 -3.95047469e-04 7.09215124e-05] [ 1.27999418e-04 5.28354537e-04 1.06970342e-04] [ 3.31715144e-04 2.26616735e-04 -1.84387109e-04] [ 1.01459964e-04 1.16849625e-04 3.29293134e-04] [-2.71002176e-05 -2.68291007e-04 -2.92659277e-04] [ 5.01764275e-04 -2.64238429e-04 -3.15105261e-06] [ 3.60631722e-05 -1.01316815e-04 -8.39247139e-04] [-1.10724052e-04 1.45986770e-04 1.06655239e-03] [-3.79341934e-04 -4.82044863e-04 -3.18218935e-04] [-2.99415777e-04 4.89237060e-04 2.72439581e-04] [-1.58815572e-04 1.32401836e-04 3.61389128e-04] [ 1.31404164e-04 1.18824794e-04 -2.00812149e-04] [ 6.52142031e-05 -1.13284193e-04 -2.53993941e-04] [ 1.87865323e-04 -3.64743013e-05 4.94430283e-05] [-5.07406010e-04 -1.86723139e-04 -2.05194769e-04] [ 3.76103214e-04 5.48836656e-04 -5.70698384e-04] [ 4.03434442e-04 -5.03436555e-04 5.35090957e-04] [-4.80653433e-04 2.42480637e-04 1.63959747e-04] [-4.70126788e-04 -3.54645998e-04 1.16093380e-04] [ 5.55667555e-04 4.61036302e-04 -5.18747340e-04] [ 2.10220650e-04 -2.96284254e-04 3.40847975e-04] [-4.53780896e-04 2.21231978e-04 4.34783648e-05]] Final stress: [ 1.86452738e-05 3.39082567e-05 2.52201415e-05 2.72696299e-06 -1.28625726e-04 1.28708811e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 34 steps. Final forces: [[ 6.33626179e-05 -1.16015803e-03 -1.84607367e-04] [-4.97548668e-04 1.82754262e-03 -2.19515002e-04] [-7.74860836e-04 -1.53057974e-03 6.81617468e-04] [ 5.84427747e-04 1.13293961e-03 -8.77414665e-05] [-6.17939866e-05 -1.58126301e-03 1.03036262e-03] [-2.22121938e-03 -1.25560175e-03 -2.02089697e-04] [-1.41099529e-03 9.69800337e-04 9.78595956e-04] [-5.43365487e-04 7.13456923e-04 -1.48372576e-03] [ 1.25197183e-03 2.19203118e-03 -1.02620668e-03] [ 1.65003491e-03 -1.96207757e-03 9.99851763e-04] [ 1.20559763e-03 1.29763715e-03 -5.05710023e-03] [ 3.54944255e-04 -7.55061325e-04 4.00014856e-03] [-9.31809733e-04 1.19599942e-04 6.60939226e-04] [ 6.60212384e-04 2.91726103e-04 -1.35451603e-03] [-1.00477190e-03 8.48545935e-05 2.25583701e-04] [-3.39178992e-04 -5.04732136e-04 1.19974897e-03] [-2.04802317e-03 -2.64643545e-03 -2.10999037e-03] [ 1.77820223e-03 9.54825109e-04 -6.47112732e-04] [ 2.17289156e-03 -5.23815450e-04 7.66024904e-04] [-1.43719660e-03 2.38009070e-03 1.98693089e-03] [-1.04091373e-03 -1.41430809e-03 -1.95494886e-03] [ 2.09064138e-03 1.12010699e-03 -1.56237879e-04] [ 2.36041632e-03 -1.31047224e-03 -3.89300777e-04] [-1.86102510e-03 1.55989354e-03 2.34328879e-03]] Final stress: [ 7.26822449e-05 1.31406135e-04 9.97666332e-05 -1.18646832e-05 -1.27938904e-04 -1.28472901e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[-4.67904633e-04 -5.17250092e-04 -7.46034489e-04] [ 4.67904631e-04 5.17250092e-04 -7.46034489e-04] [ 3.00586521e-04 -7.12996504e-04 6.48572813e-04] [-3.00586515e-04 7.12996501e-04 6.48572809e-04] [ 1.53189250e-04 -8.88245239e-05 -1.21806235e-04] [-1.53189244e-04 8.88245320e-05 -1.21806238e-04] [ 1.99682280e-04 1.28290714e-04 3.13318459e-05] [-1.99682287e-04 -1.28290706e-04 3.13318453e-05] [ 3.20512222e-04 1.33862942e-04 -1.74512100e-04] [ 6.11591595e-04 -6.56048092e-05 -3.79989057e-05] [-3.20512231e-04 -1.33862945e-04 -1.74512090e-04] [-6.11591590e-04 6.56048073e-05 -3.79989050e-05] [ 1.01025386e-04 6.64350018e-04 4.90851557e-04] [-1.75836680e-05 3.64702978e-04 -1.03791462e-04] [ 1.75836604e-05 -3.64702967e-04 -1.03791458e-04] [-1.01025378e-04 -6.64350016e-04 4.90851552e-04] [ 1.83843220e-04 4.68840741e-04 2.58195561e-05] [-1.83843204e-04 -4.68840755e-04 2.58195650e-05] [-3.62127410e-04 5.45131756e-04 -2.41897945e-05] [ 3.62127394e-04 -5.45131757e-04 -2.41897955e-05] [ 6.64554016e-04 2.54372624e-04 7.70033137e-05] [-6.64554015e-04 -2.54372626e-04 7.70033069e-05] [-6.44160713e-04 2.39409945e-04 -6.52460991e-05] [ 6.44160712e-04 -2.39409952e-04 -6.52461038e-05]] Final stress: [ 6.36315133e-06 1.49752194e-05 1.48960708e-05 3.90038595e-15 -6.79698643e-15 2.57317119e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[-3.04537218e-04 -7.16024311e-04 -6.52436646e-04] [ 3.04537206e-04 7.16024301e-04 -6.52436638e-04] [ 4.69939931e-04 -5.20402323e-04 7.48654544e-04] [-4.69939923e-04 5.20402318e-04 7.48654537e-04] [-2.00194862e-04 1.26042836e-04 -3.07800734e-05] [ 2.00194868e-04 -1.26042827e-04 -3.07800670e-05] [-1.53185285e-04 -8.78321941e-05 1.23562355e-04] [ 1.53185282e-04 8.78321978e-05 1.23562351e-04] [ 6.06994277e-04 6.25683689e-05 3.37307327e-05] [ 3.23522914e-04 -1.34146238e-04 1.75624398e-04] [-6.06994285e-04 -6.25683747e-05 3.37307358e-05] [-3.23522909e-04 1.34146239e-04 1.75624400e-04] [ 1.49441499e-05 3.64020658e-04 1.01713905e-04] [-9.63213371e-05 6.60713088e-04 -4.88890781e-04] [ 9.63213013e-05 -6.60713070e-04 -4.88890756e-04] [-1.49441090e-05 -3.64020625e-04 1.01713880e-04] [ 3.62400505e-04 5.40937517e-04 2.53630843e-05] [-3.62400476e-04 -5.40937520e-04 2.53630974e-05] [-1.86564992e-04 4.70216994e-04 -2.53009463e-05] [ 1.86564960e-04 -4.70217024e-04 -2.53009578e-05] [ 6.47966136e-04 2.42709005e-04 6.66787561e-05] [-6.47966151e-04 -2.42709013e-04 6.66787395e-05] [-6.60755716e-04 2.54051592e-04 -7.79193373e-05] [ 6.60755733e-04 -2.54051594e-04 -7.79193122e-05]] Final stress: [ 6.39081294e-06 1.49911857e-05 1.49406725e-05 1.50902936e-14 -4.95788517e-14 -2.57321495e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00035253 -0.00012207 0.00017701] [ 0.00035253 0.00012207 0.00017701] [ 0.00035253 -0.00012207 -0.00017701] [-0.00035253 0.00012207 -0.00017701] [-0.00085116 0.00178648 -0.00057344] [ 0.00085116 -0.00178648 -0.00057344] [ 0.00085116 0.00178648 0.00057344] [-0.00085116 -0.00178648 0.00057344] [ 0.00023378 -0.00224018 -0.00028155] [ 0.00023378 0.00224018 0.00028155] [-0.00023378 0.00224018 -0.00028155] [-0.00023378 -0.00224018 0.00028155] [ 0.0007192 0.00053305 -0.00026284] [-0.0007192 0.00053305 0.00026284] [ 0.0007192 -0.00053305 0.00026284] [-0.0007192 -0.00053305 -0.00026284] [ 0.00113449 0.00056942 -0.0013541 ] [-0.00113449 -0.00056942 -0.0013541 ] [-0.00113449 0.00056942 0.0013541 ] [ 0.00113449 -0.00056942 0.0013541 ] [ 0.00122254 -0.00065884 -0.00011862] [-0.00122254 0.00065884 -0.00011862] [-0.00122254 -0.00065884 0.00011862] [ 0.00122254 0.00065884 0.00011862]] Final stress: [1.06734737e-04 3.29194576e-05 3.03088517e-05 1.79591732e-15 4.83560928e-15 5.00252671e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.00306279 0.00209204 0.0013557 ] [-0.00306279 -0.00209204 0.0013557 ] [-0.00306279 0.00209204 -0.0013557 ] [ 0.00306279 -0.00209204 -0.0013557 ] [ 0.00143223 -0.00274006 0.00087904] [-0.00143223 0.00274006 0.00087904] [-0.00143223 -0.00274006 -0.00087904] [ 0.00143223 0.00274006 -0.00087904] [ 0.00084951 0.00456294 0.00068908] [ 0.00084951 -0.00456294 -0.00068908] [-0.00084951 -0.00456294 0.00068908] [-0.00084951 0.00456294 -0.00068908] [-0.00116823 -0.00045832 0.00052538] [ 0.00116823 -0.00045832 -0.00052538] [-0.00116823 0.00045832 -0.00052538] [ 0.00116823 0.00045832 0.00052538] [-0.00253095 -0.0007375 0.0021934 ] [ 0.00253095 0.0007375 0.0021934 ] [ 0.00253095 -0.0007375 -0.0021934 ] [-0.00253095 0.0007375 -0.0021934 ] [-0.00312012 -0.00040117 -0.00041295] [ 0.00312012 0.00040117 -0.00041295] [ 0.00312012 -0.00040117 0.00041295] [-0.00312012 0.00040117 0.00041295]] Final stress: [-6.68538277e-05 -2.68130520e-05 -2.63592640e-05 1.13034765e-16 1.90065775e-15 2.85199379e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00043525 0.00097052 0.00037274] [-0.00043525 -0.00097052 0.00037274] [-0.00043525 0.00097052 -0.00037274] [ 0.00043525 -0.00097052 -0.00037274] [ 0.00018836 0.0033808 -0.0012245 ] [-0.00018836 -0.0033808 -0.0012245 ] [-0.00018836 0.0033808 0.0012245 ] [ 0.00018836 -0.0033808 0.0012245 ] [-0.00021124 0.00019368 0.00078159] [-0.00021124 -0.00019368 -0.00078159] [ 0.00021124 -0.00019368 0.00078159] [ 0.00021124 0.00019368 -0.00078159] [-0.0007882 0.00292838 -0.00128568] [ 0.0007882 0.00292838 0.00128568] [-0.0007882 -0.00292838 0.00128568] [ 0.0007882 -0.00292838 -0.00128568] [ 0.00015521 0.00227693 -0.00305537] [-0.00015522 -0.00227693 -0.00305537] [-0.00015522 0.00227693 0.00305537] [ 0.00015522 -0.00227693 0.00305537] [-0.00037448 0.00191919 -0.00212216] [ 0.00037448 -0.00191919 -0.00212216] [ 0.00037448 0.00191919 0.00212216] [-0.00037448 -0.00191919 0.00212216]] Final stress: [ 7.84438956e-05 7.54463468e-05 5.74269493e-05 -1.44546085e-14 2.41712527e-14 -1.26985385e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 3.35884134e-03 -6.36553029e-03 3.42223317e-03] [-3.35884134e-03 6.36553030e-03 3.42223317e-03] [-3.35884133e-03 -6.36553030e-03 -3.42223317e-03] [ 3.35884134e-03 6.36553030e-03 -3.42223317e-03] [-5.30009879e-03 1.00405073e-04 2.33139162e-03] [ 5.30009880e-03 -1.00405059e-04 2.33139160e-03] [ 5.30009879e-03 1.00405075e-04 -2.33139162e-03] [-5.30009880e-03 -1.00405066e-04 -2.33139161e-03] [-6.15252829e-05 2.98264939e-03 5.76405651e-03] [-6.15252696e-05 -2.98264940e-03 -5.76405652e-03] [ 6.15252732e-05 -2.98264940e-03 5.76405652e-03] [ 6.15252815e-05 2.98264939e-03 -5.76405652e-03] [-4.95704305e-03 -1.21379162e-03 2.96874397e-03] [ 4.95704306e-03 -1.21379164e-03 -2.96874397e-03] [-4.95704305e-03 1.21379162e-03 -2.96874398e-03] [ 4.95704307e-03 1.21379163e-03 2.96874397e-03] [ 2.22429161e-03 -3.71702332e-03 1.79121605e-03] [-2.22429160e-03 3.71702333e-03 1.79121606e-03] [-2.22429162e-03 -3.71702333e-03 -1.79121605e-03] [ 2.22429160e-03 3.71702332e-03 -1.79121605e-03] [ 2.70043752e-03 4.46771397e-03 -6.55766096e-03] [-2.70043753e-03 -4.46771397e-03 -6.55766095e-03] [-2.70043753e-03 4.46771397e-03 6.55766097e-03] [ 2.70043752e-03 -4.46771397e-03 6.55766095e-03]] Final stress: [-3.45616764e-05 3.69414361e-05 8.57265565e-06 2.54504632e-14 -1.04991506e-15 -3.61333820e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.50220713e-04 1.66235245e-03 -5.89796752e-04] [ 8.50220715e-04 -1.66235245e-03 -5.89796755e-04] [ 8.50220716e-04 1.66235245e-03 5.89796756e-04] [-8.50220713e-04 -1.66235245e-03 5.89796753e-04] [ 1.56383744e-03 6.69484553e-04 8.70951289e-05] [-1.56383744e-03 -6.69484552e-04 8.70951243e-05] [-1.56383744e-03 6.69484555e-04 -8.70951257e-05] [ 1.56383744e-03 -6.69484550e-04 -8.70951248e-05] [ 1.60516857e-04 -7.80481726e-04 -1.19646896e-03] [ 1.60516856e-04 7.80481726e-04 1.19646896e-03] [-1.60516866e-04 7.80481718e-04 -1.19646895e-03] [-1.60516861e-04 -7.80481721e-04 1.19646895e-03] [ 1.39667914e-03 4.96228317e-04 -3.09336186e-04] [-1.39667914e-03 4.96228314e-04 3.09336187e-04] [ 1.39667914e-03 -4.96228316e-04 3.09336188e-04] [-1.39667914e-03 -4.96228314e-04 -3.09336186e-04] [-2.33109509e-04 4.11996257e-04 1.39779823e-04] [ 2.33109518e-04 -4.11996256e-04 1.39779830e-04] [ 2.33109518e-04 4.11996254e-04 -1.39779835e-04] [-2.33109516e-04 -4.11996258e-04 -1.39779825e-04] [-3.98812959e-04 -2.80111595e-04 1.07212974e-03] [ 3.98812960e-04 2.80111586e-04 1.07212974e-03] [ 3.98812960e-04 -2.80111586e-04 -1.07212974e-03] [-3.98812958e-04 2.80111594e-04 -1.07212975e-03]] Final stress: [-3.76196667e-05 3.40157830e-05 3.62116480e-06 9.68650806e-15 2.31287813e-16 5.75849715e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.97348226e-04 -4.21878704e-04 -1.16646272e-04] [ 1.97348228e-04 4.21878705e-04 -1.16646273e-04] [ 1.97348221e-04 -4.21878698e-04 1.16646268e-04] [-1.97348226e-04 4.21878702e-04 1.16646273e-04] [ 6.33722034e-05 -1.52045801e-03 7.66115467e-04] [-6.33722001e-05 1.52045801e-03 7.66115461e-04] [-6.33721948e-05 -1.52045802e-03 -7.66115461e-04] [ 6.33721922e-05 1.52045802e-03 -7.66115453e-04] [ 4.78103269e-04 1.95096092e-04 -1.14308651e-04] [ 4.78103275e-04 -1.95096091e-04 1.14308652e-04] [-4.78103266e-04 -1.95096091e-04 -1.14308654e-04] [-4.78103271e-04 1.95096088e-04 1.14308658e-04] [ 4.82345336e-04 -1.44935450e-03 7.49449212e-04] [-4.82345342e-04 -1.44935449e-03 -7.49449216e-04] [ 4.82345347e-04 1.44935449e-03 -7.49449220e-04] [-4.82345338e-04 1.44935450e-03 7.49449214e-04] [ 2.13467854e-04 -1.34839085e-03 1.58223730e-03] [-2.13467858e-04 1.34839085e-03 1.58223729e-03] [-2.13467868e-04 -1.34839087e-03 -1.58223729e-03] [ 2.13467866e-04 1.34839086e-03 -1.58223729e-03] [ 2.28844831e-04 -8.80126960e-04 1.36451230e-03] [-2.28844831e-04 8.80126957e-04 1.36451231e-03] [-2.28844826e-04 -8.80126956e-04 -1.36451230e-03] [ 2.28844824e-04 8.80126952e-04 -1.36451231e-03]] Final stress: [-8.20899850e-05 -8.36579897e-05 -4.81278356e-05 -6.69460851e-16 1.10675273e-14 -2.60607336e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00097206 0.00037397 0.0004353 ] [-0.00097206 -0.00037397 0.0004353 ] [-0.00097206 0.00037397 -0.0004353 ] [ 0.00097206 -0.00037397 -0.0004353 ] [ 0.00018997 0.00078405 -0.00021272] [-0.00018997 -0.00078405 -0.00021272] [-0.00018997 0.00078405 0.00021272] [ 0.00018997 -0.00078405 0.00021272] [ 0.00293495 -0.00129524 -0.00079094] [ 0.00293495 0.00129524 0.00079094] [-0.00293495 0.00129524 -0.00079094] [-0.00293495 -0.00129524 0.00079094] [ 0.00339174 -0.00122343 0.00018585] [-0.00339174 -0.00122343 -0.00018585] [ 0.00339174 0.00122343 -0.00018585] [-0.00339174 0.00122343 0.00018585] [ 0.00228407 -0.00306803 0.00015225] [-0.00228407 0.00306803 0.00015225] [-0.00228407 -0.00306803 -0.00015225] [ 0.00228407 0.00306803 -0.00015225] [ 0.00192361 -0.00212722 -0.00036894] [-0.00192361 0.00212722 -0.00036894] [-0.00192361 -0.00212722 0.00036894] [ 0.00192361 0.00212722 0.00036894]] Final stress: [ 7.53987868e-05 5.76127259e-05 7.84035260e-05 -6.56048631e-14 3.01318106e-14 -5.31384761e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.37438479e-03 -8.30305106e-04 -1.16375470e-03] [-2.37438478e-03 8.30305116e-04 -1.16375471e-03] [-2.37438478e-03 -8.30305111e-04 1.16375470e-03] [ 2.37438478e-03 8.30305112e-04 1.16375471e-03] [-1.30350667e-03 -2.02602435e-03 2.68187553e-05] [ 1.30350668e-03 2.02602438e-03 2.68187310e-05] [ 1.30350667e-03 -2.02602436e-03 -2.68187563e-05] [-1.30350667e-03 2.02602436e-03 -2.68187498e-05] [ 1.01562631e-03 -9.92910298e-05 2.47895119e-03] [ 1.01562627e-03 9.92910514e-05 -2.47895117e-03] [-1.01562629e-03 9.92910339e-05 2.47895119e-03] [-1.01562629e-03 -9.92910334e-05 -2.47895119e-03] [ 9.75344178e-04 2.18002064e-04 2.18579562e-03] [-9.75344184e-04 2.18002062e-04 -2.18579562e-03] [ 9.75344224e-04 -2.18002086e-04 -2.18579564e-03] [-9.75344179e-04 -2.18002051e-04 2.18579562e-03] [ 6.91277686e-04 6.00256336e-04 -7.64970501e-04] [-6.91277721e-04 -6.00256327e-04 -7.64970511e-04] [-6.91277689e-04 6.00256305e-04 7.64970496e-04] [ 6.91277700e-04 -6.00256332e-04 7.64970525e-04] [-1.95908768e-04 1.15678258e-03 -2.99499168e-04] [ 1.95908767e-04 -1.15678261e-03 -2.99499171e-04] [ 1.95908717e-04 1.15678259e-03 2.99499184e-04] [-1.95908754e-04 -1.15678260e-03 2.99499161e-04]] Final stress: [ 2.72244019e-05 6.36683365e-06 -3.26229853e-05 4.24594502e-14 5.94938250e-14 5.68887459e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-6.36532488e-03 3.42214565e-03 3.35870360e-03] [ 6.36532488e-03 -3.42214564e-03 3.35870359e-03] [ 6.36532488e-03 3.42214564e-03 -3.35870359e-03] [-6.36532488e-03 -3.42214564e-03 -3.35870360e-03] [ 2.98253055e-03 5.76406219e-03 -6.18819027e-05] [-2.98253055e-03 -5.76406220e-03 -6.18819005e-05] [-2.98253056e-03 5.76406221e-03 6.18818936e-05] [ 2.98253055e-03 -5.76406219e-03 6.18819058e-05] [-1.21348960e-03 2.96853350e-03 -4.95698394e-03] [-1.21348961e-03 -2.96853349e-03 4.95698394e-03] [ 1.21348959e-03 -2.96853351e-03 -4.95698392e-03] [ 1.21348960e-03 2.96853350e-03 4.95698393e-03] [ 1.00318798e-04 2.33140316e-03 -5.29978954e-03] [-1.00318785e-04 2.33140314e-03 5.29978955e-03] [ 1.00318794e-04 -2.33140316e-03 5.29978954e-03] [-1.00318786e-04 -2.33140315e-03 -5.29978955e-03] [-3.71713532e-03 1.79097324e-03 2.22464082e-03] [ 3.71713532e-03 -1.79097323e-03 2.22464081e-03] [ 3.71713533e-03 1.79097324e-03 -2.22464082e-03] [-3.71713533e-03 -1.79097325e-03 -2.22464082e-03] [ 4.46738675e-03 -6.55721864e-03 2.70030038e-03] [-4.46738676e-03 6.55721861e-03 2.70030038e-03] [-4.46738676e-03 -6.55721862e-03 -2.70030038e-03] [ 4.46738676e-03 6.55721864e-03 -2.70030039e-03]] Final stress: [ 3.69428261e-05 8.57215171e-06 -3.45636318e-05 1.69795736e-14 -1.30834477e-15 2.14194539e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-4.24955482e-04 -1.18669786e-04 -1.99970215e-04] [ 4.24955482e-04 1.18669785e-04 -1.99970213e-04] [ 4.24955485e-04 -1.18669788e-04 1.99970216e-04] [-4.24955489e-04 1.18669792e-04 1.99970220e-04] [ 1.95953239e-04 -1.15608243e-04 4.78693052e-04] [-1.95953245e-04 1.15608233e-04 4.78693065e-04] [-1.95953248e-04 -1.15608224e-04 -4.78693060e-04] [ 1.95953251e-04 1.15608220e-04 -4.78693061e-04] [-1.44938798e-03 7.51453897e-04 4.81791364e-04] [-1.44938799e-03 -7.51453894e-04 -4.81791355e-04] [ 1.44938799e-03 -7.51453890e-04 4.81791349e-04] [ 1.44938797e-03 7.51453902e-04 -4.81791367e-04] [-1.52057861e-03 7.68189554e-04 6.66481304e-05] [ 1.52057864e-03 7.68189530e-04 -6.66481130e-05] [-1.52057862e-03 -7.68189538e-04 -6.66481223e-05] [ 1.52057862e-03 -7.68189551e-04 6.66481255e-05] [-1.34449284e-03 1.58765286e-03 2.18587439e-04] [ 1.34449282e-03 -1.58765286e-03 2.18587428e-04] [ 1.34449284e-03 1.58765289e-03 -2.18587430e-04] [-1.34449283e-03 -1.58765289e-03 -2.18587440e-04] [-8.82878380e-04 1.36068215e-03 2.24381103e-04] [ 8.82878380e-04 -1.36068215e-03 2.24381091e-04] [ 8.82878376e-04 1.36068214e-03 -2.24381106e-04] [-8.82878385e-04 -1.36068214e-03 -2.24381100e-04]] Final stress: [-8.36249784e-05 -4.80807861e-05 -8.20559077e-05 2.05071012e-15 6.83019403e-15 3.37711584e-14] Minimization converged after 104 steps. Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 80 steps. Final forces: [[ 0.00407816 0.00046669 0.00310822] [ 0.00105632 0.00404796 0.00231105] [ 0.00105633 -0.00404796 -0.00231104] [ 0.00407817 -0.00046669 -0.00310822] [-0.002419 -0.00264759 0.00572924] [-0.00319645 -0.00108254 0.00914913] [-0.00319646 0.00108255 -0.00914914] [-0.002419 0.00264759 -0.00572924] [-0.0012557 -0.00086954 -0.00179683] [-0.00125569 0.00086953 0.00179682] [ 0.00380512 -0.00076172 -0.00129225] [ 0.00380513 0.00076172 0.00129225] [-0.00182078 -0.00522522 -0.00178305] [ 0.00025455 -0.00769839 0.00143962] [-0.00182079 0.00522523 0.00178305] [ 0.00025456 0.00769839 -0.00143962] [-0.00268145 0.00165183 -0.00257636] [ 0.00420722 0.00039765 -0.00132208] [ 0.0042072 -0.00039764 0.00132208] [-0.00268147 -0.00165185 0.00257636] [ 0.00010221 0.00066577 0.0016259 ] [-0.00213019 0.00538706 0.00058605] [-0.00213019 -0.00538706 -0.00058605] [ 0.00010221 -0.00066577 -0.0016259 ]] Final stress: [ 1.21872461e-02 3.57314309e-03 3.64495874e-03 4.66655721e-05 -1.39663471e-11 1.61697758e-12] Minimization converged after 107 steps. Minimization converged after 104 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-2.66120639e-03 9.62729847e-03 1.57079759e-02] [ 1.01613298e-02 -6.70763852e-03 -5.89422142e-03] [ 2.66120637e-03 9.62729849e-03 -1.57079760e-02] [-1.01613298e-02 -6.70763852e-03 5.89422143e-03] [ 4.29277908e-05 -5.09469579e-03 9.53570090e-03] [-5.62498733e-03 1.91932840e-02 -2.31320892e-04] [-4.29277909e-05 -5.09469580e-03 -9.53570092e-03] [ 5.62498731e-03 1.91932841e-02 2.31320917e-04] [ 1.81583005e-02 1.59135059e-02 2.52403419e-02] [-2.67265610e-03 5.69108289e-04 9.60856230e-03] [ 2.67265613e-03 5.69108312e-04 -9.60856233e-03] [-1.81583005e-02 1.59135058e-02 -2.52403419e-02] [ 4.81759859e-04 -4.78702197e-03 -1.13270558e-02] [-4.81759867e-04 -4.78702194e-03 1.13270558e-02] [-1.07009509e-02 -6.41101855e-03 2.45920052e-02] [ 1.07009509e-02 -6.41101854e-03 -2.45920053e-02] [-3.00828206e-03 -2.59892468e-03 2.79460484e-02] [-1.41282887e-02 -1.14849913e-02 -2.72495697e-02] [ 3.00828204e-03 -2.59892468e-03 -2.79460484e-02] [ 1.41282887e-02 -1.14849912e-02 2.72495696e-02] [-1.17403047e-02 -8.67775759e-03 2.40254914e-02] [-4.48472568e-03 4.58851653e-04 1.58852507e-03] [ 1.17403048e-02 -8.67775760e-03 -2.40254914e-02] [ 4.48472568e-03 4.58851616e-04 -1.58852504e-03]] Final stress: [ 4.91636645e-04 -5.58150575e-05 -6.07076525e-05 -7.52278327e-14 -4.49460981e-04 -6.88137236e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-1.01632854e-02 6.70692355e-03 -5.89628812e-03] [ 2.66024566e-03 -9.62762441e-03 1.57098504e-02] [ 1.01632854e-02 6.70692355e-03 5.89628812e-03] [-2.66024566e-03 -9.62762441e-03 -1.57098504e-02] [ 5.62521174e-03 -1.91952143e-02 -2.31886596e-04] [-4.50174940e-05 5.09459717e-03 9.53704700e-03] [-5.62521175e-03 -1.91952142e-02 2.31886590e-04] [ 4.50174820e-05 5.09459719e-03 -9.53704698e-03] [-2.67323629e-03 -5.69211028e-04 -9.61108998e-03] [ 1.81580246e-02 -1.59152090e-02 -2.52429571e-02] [-1.81580246e-02 -1.59152090e-02 2.52429571e-02] [ 2.67323627e-03 -5.69211024e-04 9.61108998e-03] [-1.06996894e-02 6.41185660e-03 -2.45926027e-02] [ 1.06996894e-02 6.41185656e-03 2.45926027e-02] [ 4.81385116e-04 4.78766317e-03 1.13280884e-02] [-4.81385142e-04 4.78766315e-03 -1.13280884e-02] [ 1.41300072e-02 1.14862852e-02 -2.72515979e-02] [ 3.01058448e-03 2.60079477e-03 2.79490442e-02] [-1.41300072e-02 1.14862852e-02 2.72515979e-02] [-3.01058447e-03 2.60079475e-03 -2.79490442e-02] [ 4.48508556e-03 -4.58027857e-04 1.58878684e-03] [ 1.17401518e-02 8.67716606e-03 2.40262049e-02] [-4.48508554e-03 -4.58027852e-04 -1.58878686e-03] [-1.17401518e-02 8.67716609e-03 -2.40262048e-02]] Final stress: [ 4.91670260e-04 -5.58075861e-05 -6.06958833e-05 -4.63716630e-14 4.49475541e-04 3.77619541e-14] Minimization converged after 100 steps. Minimization converged after 104 steps. Minimization converged after 86 steps. Minimization converged after 86 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 0.00017671 -0.00035304 -0.00012244] [-0.00017671 0.00035304 -0.00012244] [-0.00017671 -0.00035304 0.00012244] [ 0.00017671 0.00035304 0.00012244] [-0.00026301 0.00071914 0.00053312] [ 0.00026301 -0.00071914 0.00053312] [ 0.00026301 0.00071914 -0.00053312] [-0.00026301 -0.00071914 -0.00053312] [-0.00057345 -0.00085133 0.00178652] [-0.00057345 0.00085133 -0.00178652] [ 0.00057345 0.00085133 0.00178652] [ 0.00057345 -0.00085133 -0.00178652] [-0.00028175 0.00023376 -0.00224063] [ 0.00028175 0.00023376 0.00224063] [-0.00028175 -0.00023376 0.00224063] [ 0.00028175 -0.00023376 -0.00224063] [-0.0013542 0.00113487 0.00056949] [ 0.0013542 -0.00113487 0.00056949] [ 0.0013542 0.00113487 -0.00056949] [-0.0013542 -0.00113487 -0.00056949] [-0.00011845 0.00122301 -0.00065848] [ 0.00011845 -0.00122301 -0.00065848] [ 0.00011845 0.00122301 0.00065848] [-0.00011845 -0.00122301 0.00065848]] Final stress: [ 3.03112625e-05 1.06732685e-04 3.29212112e-05 -1.71106291e-15 1.83604773e-15 3.23808748e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.00135148 0.00306043 0.00208849] [-0.00135148 -0.00306043 0.00208849] [-0.00135148 0.00306043 -0.00208849] [ 0.00135148 -0.00306043 -0.00208849] [ 0.00052688 -0.00116652 -0.0004595 ] [-0.00052688 0.00116652 -0.0004595 ] [-0.00052688 -0.00116652 0.0004595 ] [ 0.00052688 0.00116652 0.0004595 ] [ 0.0008757 0.00143427 -0.00273955] [ 0.0008757 -0.00143427 0.00273955] [-0.0008757 -0.00143427 -0.00273955] [-0.0008757 0.00143427 0.00273955] [ 0.00068844 0.00084899 0.00456569] [-0.00068844 0.00084899 -0.00456569] [ 0.00068844 -0.00084899 -0.00456569] [-0.00068844 -0.00084899 0.00456569] [ 0.00219421 -0.00253066 -0.00073803] [-0.00219421 0.00253066 -0.00073803] [-0.00219421 -0.00253066 0.00073803] [ 0.00219421 0.00253066 0.00073803] [-0.00041476 -0.00311836 -0.00039805] [ 0.00041476 0.00311836 -0.00039805] [ 0.00041476 -0.00311836 0.00039805] [-0.00041476 0.00311836 0.00039805]] Final stress: [-2.63962762e-05 -6.68834519e-05 -2.68481889e-05 -8.37078063e-16 7.26391471e-16 1.00701947e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00037305 0.00043381 0.00096814] [-0.00037305 -0.00043381 0.00096814] [-0.00037305 0.00043381 -0.00096814] [ 0.00037305 -0.00043381 -0.00096814] [-0.00128898 -0.00078764 0.00292656] [ 0.00128898 0.00078764 0.00292656] [ 0.00128898 -0.00078764 -0.00292656] [-0.00128898 0.00078764 -0.00292656] [-0.00122059 0.0001876 0.00338072] [-0.00122059 -0.0001876 -0.00338072] [ 0.00122059 -0.0001876 0.00338072] [ 0.00122059 0.0001876 -0.00338072] [ 0.00078144 -0.00021162 0.0001902 ] [-0.00078144 -0.00021162 -0.0001902 ] [ 0.00078144 0.00021162 -0.0001902 ] [-0.00078144 0.00021162 0.0001902 ] [-0.00305732 0.00015477 0.00227864] [ 0.00305732 -0.00015477 0.00227864] [ 0.00305732 0.00015477 -0.00227864] [-0.00305732 -0.00015477 -0.00227864] [-0.00212181 -0.00037153 0.00191953] [ 0.00212181 0.00037153 0.00191953] [ 0.00212181 -0.00037153 -0.00191953] [-0.00212181 0.00037153 -0.00191953]] Final stress: [ 5.74955466e-05 7.84448713e-05 7.54479504e-05 -2.42083551e-14 -1.55010283e-14 -5.61850998e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 3.41912069e-03 3.35361126e-03 -6.35789905e-03] [-3.41912068e-03 -3.35361126e-03 -6.35789905e-03] [-3.41912068e-03 3.35361126e-03 6.35789905e-03] [ 3.41912068e-03 -3.35361126e-03 6.35789905e-03] [ 2.96801238e-03 -4.95065874e-03 -1.21267862e-03] [-2.96801237e-03 4.95065874e-03 -1.21267862e-03] [-2.96801237e-03 -4.95065874e-03 1.21267862e-03] [ 2.96801237e-03 4.95065874e-03 1.21267862e-03] [ 2.32721135e-03 -5.29528265e-03 1.00142460e-04] [ 2.32721133e-03 5.29528266e-03 -1.00142446e-04] [-2.32721135e-03 5.29528264e-03 1.00142465e-04] [-2.32721134e-03 -5.29528265e-03 -1.00142456e-04] [ 5.75688436e-03 -6.01491248e-05 2.97773489e-03] [-5.75688437e-03 -6.01491147e-05 -2.97773490e-03] [ 5.75688436e-03 6.01491236e-05 -2.97773489e-03] [-5.75688436e-03 6.01491250e-05 2.97773490e-03] [ 1.78796537e-03 2.22575282e-03 -3.71539076e-03] [-1.78796537e-03 -2.22575283e-03 -3.71539075e-03] [-1.78796536e-03 2.22575281e-03 3.71539074e-03] [ 1.78796537e-03 -2.22575281e-03 3.71539075e-03] [-6.55427567e-03 2.70120723e-03 4.46250104e-03] [ 6.55427567e-03 -2.70120724e-03 4.46250103e-03] [ 6.55427567e-03 2.70120724e-03 -4.46250104e-03] [-6.55427567e-03 -2.70120724e-03 -4.46250104e-03]] Final stress: [ 8.55514994e-06 -3.44830109e-05 3.68492291e-05 5.88900010e-15 6.49995460e-15 2.83406266e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00123641 -0.00179403 0.00351011] [ 0.00123641 0.00179403 0.00351011] [ 0.00123641 -0.00179403 -0.00351011] [-0.00123641 0.00179403 -0.00351011] [-0.00257047 0.0003232 -0.00086021] [ 0.00257047 -0.0003232 -0.00086021] [ 0.00257047 0.0003232 0.00086021] [-0.00257047 -0.0003232 0.00086021] [ 0.00022264 0.00391375 0.00218543] [ 0.00022264 -0.00391375 -0.00218543] [-0.00022264 -0.00391375 0.00218543] [-0.00022264 0.00391375 -0.00218543] [-0.00087554 0.00216209 -0.00041339] [ 0.00087554 0.00216209 0.00041339] [-0.00087554 -0.00216209 0.00041339] [ 0.00087554 -0.00216209 -0.00041339] [-0.00135301 0.00165688 0.00032147] [ 0.00135301 -0.00165688 0.00032147] [ 0.00135301 0.00165688 -0.00032147] [-0.00135301 -0.00165688 -0.00032147] [ 0.00438327 -0.00258009 -0.00101325] [-0.00438327 0.00258009 -0.00101325] [-0.00438327 -0.00258009 0.00101325] [ 0.00438327 0.00258009 0.00101325]] Final stress: [ 8.25586394e-06 1.76205883e-05 -2.21515173e-05 3.02315463e-14 7.47601390e-15 -2.79086228e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.24906153e-04 -2.04475120e-04 -4.26678096e-04] [ 1.24906152e-04 2.04475118e-04 -4.26678093e-04] [ 1.24906150e-04 -2.04475117e-04 4.26678092e-04] [-1.24906157e-04 2.04475124e-04 4.26678100e-04] [ 7.43068412e-04 4.76420696e-04 -1.44178091e-03] [-7.43068419e-04 -4.76420706e-04 -1.44178090e-03] [-7.43068418e-04 4.76420708e-04 1.44178090e-03] [ 7.43068413e-04 -4.76420697e-04 1.44178091e-03] [ 7.63531367e-04 6.40141210e-05 -1.50589605e-03] [ 7.63531359e-04 -6.40141136e-05 1.50589606e-03] [-7.63531347e-04 -6.40141045e-05 -1.50589607e-03] [-7.63531356e-04 6.40141101e-05 1.50589607e-03] [-1.12788671e-04 4.74811641e-04 1.91749231e-04] [ 1.12788681e-04 4.74811638e-04 -1.91749224e-04] [-1.12788673e-04 -4.74811636e-04 -1.91749230e-04] [ 1.12788678e-04 -4.74811638e-04 1.91749227e-04] [ 1.58632743e-03 2.20305525e-04 -1.33407257e-03] [-1.58632744e-03 -2.20305537e-04 -1.33407260e-03] [-1.58632743e-03 2.20305535e-04 1.33407259e-03] [ 1.58632744e-03 -2.20305533e-04 1.33407258e-03] [ 1.35213788e-03 2.25686113e-04 -8.82686941e-04] [-1.35213788e-03 -2.25686118e-04 -8.82686937e-04] [-1.35213788e-03 2.25686110e-04 8.82686930e-04] [ 1.35213788e-03 -2.25686118e-04 8.82686939e-04]] Final stress: [-4.80127945e-05 -8.22221272e-05 -8.37878860e-05 -2.55395666e-14 1.24438459e-14 3.18745596e-15] Minimization converged after 102 steps. Minimization converged after 100 steps. Minimization converged after 86 steps. Minimization converged after 86 steps. Minimization converged after 106 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 81 steps. Final forces: [[ 1.25929734e-03 1.37310968e-03 -1.61332262e-04] [-7.97476596e-04 7.84379336e-04 -1.75500500e-03] [-1.25929402e-03 1.37310554e-03 1.61334228e-04] [ 7.97477095e-04 7.84378827e-04 1.75500456e-03] [-3.75080791e-04 -3.97987061e-05 -1.64066745e-03] [ 4.23342372e-04 -4.88294717e-04 -2.93150425e-03] [ 3.75079336e-04 -3.97949690e-05 1.64066485e-03] [-4.23342166e-04 -4.88294512e-04 2.93150410e-03] [ 2.77736454e-03 -1.10199628e-03 -9.65207764e-04] [ 3.94951359e-03 -1.35952416e-03 -5.48467089e-04] [-3.94951418e-03 -1.35952500e-03 5.48468021e-04] [-2.77736606e-03 -1.10199208e-03 9.65204698e-04] [-5.86659705e-04 -4.11884412e-04 8.82153669e-06] [ 5.86662058e-04 -4.11888115e-04 -8.82044937e-06] [-5.21091741e-04 1.73004927e-03 3.06197586e-05] [ 5.21092084e-04 1.73004989e-03 -3.06197622e-05] [-1.27525594e-03 -1.29360212e-03 1.14997640e-03] [ 3.17964073e-04 1.49480675e-03 -5.21629335e-05] [ 1.27525573e-03 -1.29359822e-03 -1.14997622e-03] [-3.17964408e-04 1.49480259e-03 5.21646792e-05] [ 5.39569680e-04 7.12509415e-04 8.08993472e-04] [-2.47193827e-05 -1.39975900e-03 -1.87488460e-03] [-5.39571385e-04 7.12514755e-04 -8.08993419e-04] [ 2.47184649e-05 -1.39975377e-03 1.87488488e-03]] Final stress: [3.60320318e-03 1.21608104e-02 3.56978916e-03 4.40686640e-12 7.22261166e-05 3.20808609e-12] Minimization converged after 106 steps. Minimization converged after 102 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 1.57082953e-02 -2.65890852e-03 9.62522275e-03] [-1.57082952e-02 2.65890855e-03 9.62522272e-03] [ 5.89413853e-03 -1.01593728e-02 -6.71013056e-03] [-5.89413852e-03 1.01593728e-02 -6.71013058e-03] [-1.13269304e-02 4.79188735e-04 -4.79219057e-03] [ 1.13269304e-02 -4.79188713e-04 -4.79219061e-03] [ 2.45918711e-02 -1.06997783e-02 -6.41700925e-03] [-2.45918711e-02 1.06997783e-02 -6.41700923e-03] [ 9.53920925e-03 4.73268849e-05 -5.09610415e-03] [-2.33586509e-04 -5.62414329e-03 1.91943712e-02] [-9.53920929e-03 -4.73269238e-05 -5.09610409e-03] [ 2.33586477e-04 5.62414333e-03 1.91943712e-02] [ 2.52403079e-02 1.81536977e-02 1.59161106e-02] [ 9.61071368e-03 -2.66323694e-03 5.65900254e-04] [-9.61071365e-03 2.66323689e-03 5.65900230e-04] [-2.52403079e-02 -1.81536977e-02 1.59161105e-02] [ 2.79502129e-02 -3.00734309e-03 -2.59610586e-03] [-2.79502129e-02 3.00734312e-03 -2.59610584e-03] [ 2.72489099e-02 1.41211578e-02 -1.14791134e-02] [-2.72489099e-02 -1.41211578e-02 -1.14791133e-02] [ 2.40294504e-02 -1.17417662e-02 -8.67190871e-03] [-2.40294504e-02 1.17417661e-02 -8.67190871e-03] [-1.58298023e-03 4.48292830e-03 4.60957723e-04] [ 1.58298020e-03 -4.48292826e-03 4.60957661e-04]] Final stress: [-6.06277608e-05 4.91772164e-04 -5.57453497e-05 8.17505964e-14 4.74737486e-14 -4.49508306e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-5.89455560e-03 -1.01605254e-02 6.70980152e-03] [ 5.89455559e-03 1.01605254e-02 6.70980154e-03] [-1.57087821e-02 -2.65928162e-03 -9.62590413e-03] [ 1.57087821e-02 2.65928162e-03 -9.62590413e-03] [-2.45920178e-02 -1.06990507e-02 6.41550099e-03] [ 2.45920178e-02 1.06990508e-02 6.41550098e-03] [ 1.13271360e-02 4.80686353e-04 4.79032777e-03] [-1.13271360e-02 -4.80686363e-04 4.79032776e-03] [-2.33473289e-04 5.62444770e-03 -1.91951570e-02] [ 9.53933893e-03 -4.72492127e-05 5.09475373e-03] [ 2.33473279e-04 -5.62444771e-03 -1.91951570e-02] [-9.53933889e-03 4.72491798e-05 5.09475377e-03] [-9.61269448e-03 -2.66825659e-03 -5.67650327e-04] [-2.52414864e-02 1.81550801e-02 -1.59157994e-02] [ 2.52414864e-02 -1.81550800e-02 -1.59157993e-02] [ 9.61269449e-03 2.66825658e-03 -5.67650332e-04] [-2.72503484e-02 1.41245772e-02 1.14816026e-02] [ 2.72503485e-02 -1.41245772e-02 1.14816026e-02] [-2.79518776e-02 -3.00973533e-03 2.59779978e-03] [ 2.79518776e-02 3.00973535e-03 2.59779976e-03] [ 1.58425341e-03 4.48356477e-03 -4.59410776e-04] [-1.58425342e-03 -4.48356473e-03 -4.59410762e-04] [-2.40279078e-02 -1.17409140e-02 8.67413518e-03] [ 2.40279078e-02 1.17409140e-02 8.67413518e-03]] Final stress: [-6.06554317e-05 4.91720763e-04 -5.57705009e-05 -1.89355058e-14 -6.17654818e-14 4.49494757e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.0001218 0.00017735 -0.00035229] [ 0.0001218 -0.00017735 -0.00035229] [ 0.0001218 0.00017735 0.00035229] [-0.0001218 -0.00017735 0.00035229] [-0.00224023 -0.0002812 0.00023334] [ 0.00224023 0.0002812 0.00023334] [ 0.00224023 -0.0002812 -0.00023334] [-0.00224023 0.0002812 -0.00023334] [ 0.00053288 -0.00026269 0.00071948] [ 0.00053288 0.00026269 -0.00071948] [-0.00053288 0.00026269 0.00071948] [-0.00053288 -0.00026269 -0.00071948] [ 0.00178669 -0.00057338 -0.00085117] [-0.00178669 -0.00057338 0.00085117] [ 0.00178669 0.00057338 0.00085117] [-0.00178669 0.00057338 -0.00085117] [ 0.00056926 -0.00135423 0.00113409] [-0.00056926 0.00135423 0.00113409] [-0.00056926 -0.00135423 -0.00113409] [ 0.00056926 0.00135423 -0.00113409] [-0.00065917 -0.00011863 0.00122228] [ 0.00065917 0.00011863 0.00122228] [ 0.00065917 -0.00011863 -0.00122228] [-0.00065917 0.00011863 -0.00122228]] Final stress: [ 3.29110522e-05 3.03000158e-05 1.06723151e-04 2.62533198e-15 -1.18508610e-15 4.95966154e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.00209198 0.0013556 0.00306311] [-0.00209198 -0.0013556 0.00306311] [-0.00209198 0.0013556 -0.00306311] [ 0.00209198 -0.0013556 -0.00306311] [ 0.00456282 0.00068853 0.00085104] [-0.00456282 -0.00068853 0.00085104] [-0.00456282 0.00068853 -0.00085104] [ 0.00456282 -0.00068853 -0.00085104] [-0.00045845 0.00052557 -0.00116861] [-0.00045845 -0.00052557 0.00116861] [ 0.00045845 -0.00052557 -0.00116861] [ 0.00045845 0.00052557 0.00116861] [-0.00274001 0.00087829 0.0014317 ] [ 0.00274001 0.00087829 -0.0014317 ] [-0.00274001 -0.00087829 -0.0014317 ] [ 0.00274001 -0.00087829 0.0014317 ] [-0.00073597 0.00219563 -0.00253013] [ 0.00073597 -0.00219563 -0.00253013] [ 0.00073597 0.00219563 0.00253013] [-0.00073597 -0.00219563 0.00253013] [-0.00040066 -0.00041396 -0.00312061] [ 0.00040066 0.00041396 -0.00312061] [ 0.00040066 -0.00041396 0.00312061] [-0.00040066 0.00041396 0.00312061]] Final stress: [-2.68383867e-05 -2.63850391e-05 -6.68584968e-05 1.67387394e-15 1.08922062e-15 4.30997950e-17] Minimization converged after 103 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 9.62689943e-03 1.57089622e-02 -2.66041131e-03] [-6.70843523e-03 5.89481016e-03 -1.01613515e-02] [-6.70843525e-03 -5.89481014e-03 1.01613515e-02] [ 9.62689944e-03 -1.57089622e-02 2.66041131e-03] [ 1.59146808e-02 2.52413165e-02 1.81569183e-02] [ 5.68916305e-04 9.61114001e-03 -2.67116457e-03] [ 5.68916339e-04 -9.61114005e-03 2.67116460e-03] [ 1.59146808e-02 -2.52413165e-02 -1.81569182e-02] [-4.78794423e-03 -1.13273464e-02 4.81689487e-04] [-4.78794424e-03 1.13273465e-02 -4.81689446e-04] [-6.41289265e-03 2.45924385e-02 -1.07001504e-02] [-6.41289268e-03 -2.45924385e-02 1.07001504e-02] [-5.09476436e-03 9.53754464e-03 4.51855786e-05] [ 1.91947952e-02 -2.31880063e-04 -5.62480764e-03] [-5.09476435e-03 -9.53754466e-03 -4.51855878e-05] [ 1.91947952e-02 2.31880052e-04 5.62480767e-03] [-2.59925668e-03 2.79493300e-02 -3.00931780e-03] [-1.14840487e-02 2.72504305e-02 1.41268724e-02] [-1.14840486e-02 -2.72504305e-02 -1.41268725e-02] [-2.59925663e-03 -2.79493300e-02 3.00931779e-03] [-8.67617695e-03 2.40266837e-02 -1.17404005e-02] [ 4.58226994e-04 -1.58695826e-03 4.48473930e-03] [ 4.58227022e-04 1.58695827e-03 -4.48473932e-03] [-8.67617702e-03 -2.40266838e-02 1.17404005e-02]] Final stress: [-5.57896542e-05 -6.06774681e-05 4.91684734e-04 -4.49483674e-04 6.55248652e-14 -5.75388202e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 6.70979811e-03 -5.89522195e-03 -1.01607425e-02] [-9.62569018e-03 -1.57094623e-02 -2.65839429e-03] [-9.62569018e-03 1.57094624e-02 2.65839429e-03] [ 6.70979812e-03 5.89522194e-03 1.01607425e-02] [-5.66372128e-04 -9.61275203e-03 -2.66514416e-03] [-1.59169152e-02 -2.52421958e-02 1.81539093e-02] [-1.59169152e-02 2.52421958e-02 -1.81539093e-02] [-5.66372167e-04 9.61275209e-03 2.66514419e-03] [ 6.41755863e-03 -2.45919468e-02 -1.06983955e-02] [ 6.41755867e-03 2.45919468e-02 1.06983955e-02] [ 4.79258573e-03 1.13278510e-02 4.79010662e-04] [ 4.79258574e-03 -1.13278510e-02 -4.79010647e-04] [-1.91955843e-02 -2.34026150e-04 5.62435186e-03] [ 5.09557843e-03 9.54012148e-03 -4.85140477e-05] [-1.91955843e-02 2.34026137e-04 -5.62435186e-03] [ 5.09557845e-03 -9.54012146e-03 4.85140408e-05] [ 1.14803149e-02 -2.72507508e-02 1.41233226e-02] [ 2.59726156e-03 -2.79527012e-02 -3.00947072e-03] [ 2.59726151e-03 2.79527012e-02 3.00947071e-03] [ 1.14803149e-02 2.72507508e-02 -1.41233226e-02] [-4.60649595e-04 1.58353549e-03 4.48294199e-03] [ 8.67211405e-03 -2.40292077e-02 -1.17413318e-02] [ 8.67211407e-03 2.40292077e-02 1.17413319e-02] [-4.60649611e-04 -1.58353552e-03 -4.48294200e-03]] Final stress: [-5.57515368e-05 -6.06327427e-05 4.91771796e-04 4.49509220e-04 1.99908273e-15 -5.71018350e-14] Minimization converged after 99 steps. Minimization converged after 99 steps. Minimization converged after 86 steps. Minimization converged after 86 steps. Minimization converged after 100 steps. Minimization converged after 105 steps. Minimization converged after 110 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 80 steps. Final forces: [[-0.0096844 0.00423583 -0.00164854] [ 0.00968439 -0.00423584 -0.00164852] [ 0.00086949 0.00605629 -0.00954569] [-0.00086948 -0.0060563 -0.0095457 ] [-0.00030658 -0.00362567 -0.00713219] [ 0.00030659 0.00362567 -0.00713218] [ 0.00228497 -0.00392322 0.00109389] [-0.00228498 0.00392321 0.00109388] [-0.01549819 -0.00133161 -0.0008159 ] [-0.0098614 0.00206798 0.00442317] [ 0.01549819 0.00133161 -0.0008159 ] [ 0.0098614 -0.00206797 0.00442316] [ 0.0027019 0.020419 0.00570685] [ 0.0052781 0.01407777 0.00667758] [-0.00527811 -0.01407776 0.0066776 ] [-0.00270188 -0.02041899 0.00570683] [-0.00080787 -0.00086693 -0.00838583] [ 0.00080789 0.00086693 -0.00838582] [-0.00425393 -0.00496357 0.00586351] [ 0.00425391 0.00496357 0.0058635 ] [-0.0101059 0.0008212 0.00497572] [ 0.0101059 -0.0008212 0.00497569] [-0.00325977 0.00327094 -0.00121256] [ 0.00325977 -0.00327094 -0.00121254]] Final stress: [ 3.64746898e-03 3.80611156e-03 1.22748514e-02 -7.98963682e-13 -2.03946108e-11 6.47516832e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-3.52520983e-04 -4.88361828e-05 -1.03929711e-04] [ 3.21382843e-04 -7.51011177e-05 -2.21851223e-04] [ 3.21382890e-04 7.51010817e-05 2.21851256e-04] [-3.52520983e-04 4.88361858e-05 1.03929706e-04] [ 2.64069029e-04 -1.21943628e-04 2.11431023e-04] [-5.79812394e-05 8.13177238e-05 1.64738735e-04] [-5.79812808e-05 -8.13176613e-05 -1.64738741e-04] [ 2.64069070e-04 1.21943573e-04 -2.11431076e-04] [-3.40919681e-04 1.98964429e-04 1.77699274e-04] [-3.40919705e-04 -1.98964434e-04 -1.77699280e-04] [ 2.65262021e-04 1.69661191e-05 2.80261549e-04] [ 2.65262064e-04 -1.69661171e-05 -2.80261547e-04] [-2.07542861e-04 1.77242198e-04 2.22129113e-04] [ 1.47439510e-04 2.24054794e-04 -1.32391501e-04] [-2.07542919e-04 -1.77242117e-04 -2.22129067e-04] [ 1.47439584e-04 -2.24054768e-04 1.32391460e-04] [-1.94379677e-04 1.55877418e-05 8.43019199e-05] [ 1.64749731e-04 -1.12846643e-05 2.45556272e-05] [ 1.64749709e-04 1.12846961e-05 -2.45555794e-05] [-1.94379752e-04 -1.55878300e-05 -8.43019306e-05] [-2.96212245e-04 8.84854685e-06 -1.80105201e-04] [ 2.86653530e-04 -1.43198138e-04 -1.06824641e-04] [ 2.86653492e-04 1.43198090e-04 1.06824594e-04] [-2.96212148e-04 -8.84852060e-06 1.80105241e-04]] Final stress: [ 1.08264057e-05 2.70419456e-06 8.82608734e-06 1.60847654e-04 -1.01542037e-13 8.75068335e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[-2.96934605e-04 1.11776771e-04 -1.86480746e-04] [ 3.21695178e-04 1.72220981e-05 -5.15998654e-05] [ 3.21695196e-04 -1.72221067e-05 5.15998887e-05] [-2.96934531e-04 -1.11776837e-04 1.86480683e-04] [ 9.16632128e-05 -5.12895542e-05 1.95409714e-04] [-2.65526098e-04 9.87987091e-05 2.20948745e-04] [-2.65526033e-04 -9.87988067e-05 -2.20948631e-04] [ 9.16631291e-05 5.12896732e-05 -1.95409688e-04] [-3.59423170e-04 -1.32200796e-06 3.05352026e-04] [-3.59423077e-04 1.32198729e-06 -3.05352045e-04] [ 4.18434295e-04 -1.91469617e-04 1.70968256e-04] [ 4.18434267e-04 1.91469606e-04 -1.70968257e-04] [-1.47692133e-04 2.63319105e-04 1.85086376e-04] [ 2.31541125e-04 1.83562420e-04 -2.33488400e-04] [-1.47692323e-04 -2.63319017e-04 -1.85086256e-04] [ 2.31541237e-04 -1.83562322e-04 2.33488314e-04] [-2.30010265e-04 4.75463420e-06 4.41657791e-05] [ 2.40036220e-04 -1.35627933e-05 7.16419997e-05] [ 2.40036054e-04 1.35626675e-05 -7.16419691e-05] [-2.30010339e-04 -4.75462740e-06 -4.41658635e-05] [-3.98122483e-04 1.09069638e-04 -1.48814143e-04] [ 3.94338739e-04 -2.48386985e-05 -2.15191524e-04] [ 3.94338931e-04 2.48387691e-05 2.15191384e-04] [-3.98122527e-04 -1.09069690e-04 1.48814221e-04]] Final stress: [ 1.03277356e-05 2.68268792e-06 8.85384616e-06 -1.60752089e-04 -1.78978790e-13 -2.19729819e-13] Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 28 steps. Minimization converged after 32 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-1.40840056e-04 -3.95068019e-04 -9.76740131e-05] [ 2.72577815e-04 3.29533668e-04 5.21401930e-05] [ 1.40840081e-04 -3.95068034e-04 9.76740343e-05] [-2.72577798e-04 3.29533649e-04 -5.21402200e-05] [ 1.98308565e-04 -1.81750521e-04 1.56350617e-04] [-1.11638802e-04 1.24069493e-04 2.39164108e-04] [-1.98308551e-04 -1.81750543e-04 -1.56350610e-04] [ 1.11638799e-04 1.24069498e-04 -2.39164096e-04] [ 2.32513911e-04 2.75653454e-04 -1.14783898e-04] [ 1.53848724e-04 -5.38578314e-05 7.68939214e-05] [-1.53848780e-04 -5.38578781e-05 -7.68938561e-05] [-2.32513946e-04 2.75653493e-04 1.14783836e-04] [ 1.31430042e-04 -2.70339509e-04 2.08487462e-04] [-1.31430049e-04 -2.70339528e-04 -2.08487467e-04] [ 2.86236742e-04 1.99290715e-04 4.43697386e-05] [-2.86236733e-04 1.99290718e-04 -4.43697422e-05] [ 1.11808589e-04 -1.41440795e-04 1.62828227e-05] [-5.51727955e-05 1.17958642e-04 4.05695688e-05] [-1.11808566e-04 -1.41440823e-04 -1.62828732e-05] [ 5.51728218e-05 1.17958624e-04 -4.05695351e-05] [-1.37136749e-04 -2.11846860e-04 5.17108497e-05] [ 7.48288554e-05 2.07797593e-04 1.71336957e-04] [ 1.37136733e-04 -2.11846830e-04 -5.17108231e-05] [-7.48288509e-05 2.07797625e-04 -1.71336973e-04]] Final stress: [8.88734203e-06 1.09802449e-05 2.64192498e-06 6.85566139e-14 1.60825281e-04 9.21908417e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-2.96311175e-04 -3.61997985e-04 1.63911397e-05] [ 1.11080277e-04 3.87071590e-04 -8.49264220e-05] [ 2.96311161e-04 -3.61997963e-04 -1.63911525e-05] [-1.11080262e-04 3.87071574e-04 8.49264096e-05] [ 9.27696381e-05 -2.06237537e-04 2.20466141e-04] [-1.87131134e-04 2.54785807e-04 1.12435102e-04] [-9.27695908e-05 -2.06237617e-04 -2.20466122e-04] [ 1.87131088e-04 2.54785882e-04 -1.12435043e-04] [ 5.56759152e-05 1.50512549e-05 -2.13878003e-04] [ 1.85468088e-04 -1.95087415e-04 1.65919391e-04] [-1.85468090e-04 -1.95087443e-04 -1.65919371e-04] [-5.56759300e-05 1.50512462e-05 2.13878017e-04] [ 2.92310453e-04 -3.16953950e-04 -2.27771911e-05] [-2.92310461e-04 -3.16953927e-04 2.27771816e-05] [ 1.80959160e-04 2.91077699e-04 -2.24968295e-04] [-1.80959161e-04 2.91077726e-04 2.24968289e-04] [ 1.49099920e-05 -1.18492807e-04 7.69686644e-05] [-4.57355488e-06 1.97879558e-04 5.84968789e-05] [-1.49099921e-05 -1.18492897e-04 -7.69686754e-05] [ 4.57359398e-06 1.97879621e-04 -5.84969179e-05] [-1.18258041e-04 -2.47161415e-04 3.75017867e-05] [ 9.07145126e-05 3.00065205e-04 2.76409893e-05] [ 1.18258075e-04 -2.47161377e-04 -3.75018122e-05] [-9.07145621e-05 3.00065170e-04 -2.76409852e-05]] Final stress: [ 8.04314549e-06 1.09528333e-05 2.59127354e-06 -5.40957336e-14 -1.60990480e-04 -1.13184063e-13] Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[-3.72744858e-05 -7.54892153e-05 -3.36352805e-04] [ 3.72744529e-05 7.54891676e-05 -3.36352746e-04] [-1.11396477e-04 -1.80915483e-04 2.95477321e-04] [ 1.11396412e-04 1.80915558e-04 2.95477409e-04] [ 1.90215860e-04 1.77937353e-04 -4.19220974e-04] [-1.90215831e-04 -1.77937295e-04 -4.19220936e-04] [-4.91373609e-06 3.04350902e-04 3.53934120e-04] [ 4.91371332e-06 -3.04350900e-04 3.53934214e-04] [ 1.80266585e-04 2.28744405e-04 -2.37145381e-04] [ 2.35022676e-04 -1.56068473e-04 1.78994615e-04] [-1.80266457e-04 -2.28744265e-04 -2.37145618e-04] [-2.35022495e-04 1.56068297e-04 1.78994889e-04] [-1.53966949e-04 1.89425761e-04 2.45369312e-04] [ 6.30073385e-05 1.75707651e-04 -6.85830159e-05] [-6.30072972e-05 -1.75707633e-04 -6.85830650e-05] [ 1.53966963e-04 -1.89425873e-04 2.45369287e-04] [ 2.32118251e-05 7.41006816e-05 -2.40825129e-04] [-2.32119328e-05 -7.41007060e-05 -2.40825375e-04] [-1.42907148e-05 -8.03175087e-06 2.30095859e-04] [ 1.42905870e-05 8.03186894e-06 2.30095630e-04] [-2.02964277e-05 -1.95030844e-04 -3.88402760e-04] [ 2.02964048e-05 1.95031012e-04 -3.88402602e-04] [-1.17420806e-04 -1.39190027e-04 3.86658832e-04] [ 1.17420791e-04 1.39189808e-04 3.86658921e-04]] Final stress: [ 2.67995444e-06 8.63520284e-06 1.04738397e-05 -2.64100493e-13 -1.14146935e-13 1.60844621e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 2.66431408e-04 -3.14419218e-05 -7.11091870e-05] [-2.66431443e-04 3.14418964e-05 -7.11091670e-05] [-1.61919130e-04 9.13873192e-05 2.24818141e-04] [ 1.61919171e-04 -9.13873502e-05 2.24818098e-04] [-3.06114962e-05 5.35316173e-04 -1.67286883e-04] [ 3.06115124e-05 -5.35316152e-04 -1.67286864e-04] [-2.41041426e-04 -4.41597068e-05 2.82944829e-04] [ 2.41041422e-04 4.41597042e-05 2.82944766e-04] [ 3.10838285e-04 2.92044027e-04 -3.36532485e-05] [-6.08341492e-05 -7.65536366e-05 2.69128700e-04] [-3.10838311e-04 -2.92044034e-04 -3.36532350e-05] [ 6.08341435e-05 7.65536503e-05 2.69128657e-04] [-2.25843942e-04 9.59790349e-06 6.68001705e-05] [ 3.91793244e-05 2.25999578e-04 -2.16513202e-04] [-3.91794395e-05 -2.25999505e-04 -2.16513114e-04] [ 2.25844087e-04 -9.59780168e-06 6.68000824e-05] [-1.46097794e-05 2.39245972e-05 -3.31519682e-04] [ 1.46098784e-05 -2.39246302e-05 -3.31519586e-04] [ 3.29854005e-04 -2.52968615e-04 1.49841356e-04] [-3.29854093e-04 2.52968536e-04 1.49841354e-04] [-1.70670540e-04 -3.46206702e-04 -3.79083282e-04] [ 1.70670471e-04 3.46206681e-04 -3.79083399e-04] [ 2.01231621e-05 -2.55380360e-04 2.05632302e-04] [-2.01231200e-05 2.55380348e-04 2.05632392e-04]] Final stress: [ 3.07709115e-06 8.90109851e-06 1.15614784e-05 3.48167519e-14 -1.66219755e-13 -1.60258667e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-5.41515963e-05 4.71855754e-05 2.19497047e-04] [ 5.41515956e-05 -4.71855766e-05 2.19497048e-04] [ 5.41515956e-05 4.71855765e-05 -2.19497049e-04] [-5.41515965e-05 -4.71855755e-05 -2.19497047e-04] [-3.90441876e-04 9.26681471e-04 -3.35252060e-04] [ 3.90441877e-04 -9.26681468e-04 -3.35252062e-04] [ 3.90441877e-04 9.26681468e-04 3.35252061e-04] [-3.90441876e-04 -9.26681469e-04 3.35252063e-04] [ 2.04840270e-04 -1.06469384e-03 -7.91011829e-05] [ 2.04840270e-04 1.06469384e-03 7.91011822e-05] [-2.04840270e-04 1.06469384e-03 -7.91011832e-05] [-2.04840265e-04 -1.06469385e-03 7.91011901e-05] [ 3.52513563e-04 2.47191523e-04 -6.75077147e-05] [-3.52513562e-04 2.47191525e-04 6.75077158e-05] [ 3.52513563e-04 -2.47191524e-04 6.75077146e-05] [-3.52513563e-04 -2.47191526e-04 -6.75077146e-05] [ 6.55266195e-04 3.04267863e-04 -7.02137418e-04] [-6.55266196e-04 -3.04267863e-04 -7.02137421e-04] [-6.55266196e-04 3.04267864e-04 7.02137419e-04] [ 6.55266192e-04 -3.04267861e-04 7.02137416e-04] [ 4.73144081e-04 -4.35307180e-04 -2.42236283e-04] [-4.73144082e-04 4.35307187e-04 -2.42236279e-04] [-4.73144082e-04 -4.35307185e-04 2.42236280e-04] [ 4.73144081e-04 4.35307182e-04 2.42236277e-04]] Final stress: [ 7.21306778e-05 1.96415465e-05 1.83943095e-05 -4.56807359e-15 -1.56851934e-15 1.64405943e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 2.31352650e-04 6.18618081e-05 -1.37604318e-04] [-2.31352652e-04 -6.18618102e-05 -1.37604315e-04] [-2.31352652e-04 6.18618105e-05 1.37604315e-04] [ 2.31352650e-04 -6.18618081e-05 1.37604318e-04] [ 4.76677934e-04 -1.11091434e-03 2.74610229e-04] [-4.76677933e-04 1.11091434e-03 2.74610230e-04] [-4.76677934e-04 -1.11091434e-03 -2.74610231e-04] [ 4.76677932e-04 1.11091434e-03 -2.74610227e-04] [-6.17299868e-05 1.44920397e-03 2.91091961e-04] [-6.17299857e-05 -1.44920397e-03 -2.91091963e-04] [ 6.17299911e-05 -1.44920397e-03 2.91091955e-04] [ 6.17299924e-05 1.44920397e-03 -2.91091953e-04] [-1.78224472e-04 -1.79504324e-04 2.64180764e-04] [ 1.78224474e-04 -1.79504322e-04 -2.64180763e-04] [-1.78224471e-04 1.79504322e-04 -2.64180765e-04] [ 1.78224473e-04 1.79504321e-04 2.64180764e-04] [-7.46410873e-04 -2.12380376e-04 7.84155495e-04] [ 7.46410870e-04 2.12380373e-04 7.84155487e-04] [ 7.46410870e-04 -2.12380373e-04 -7.84155488e-04] [-7.46410874e-04 2.12380377e-04 -7.84155495e-04] [-4.72389799e-04 4.16735321e-04 1.01765424e-04] [ 4.72389798e-04 -4.16735316e-04 1.01765430e-04] [ 4.72389798e-04 4.16735316e-04 -1.01765428e-04] [-4.72389800e-04 -4.16735322e-04 -1.01765427e-04]] Final stress: [-6.90817053e-05 -2.03719468e-05 -2.13687865e-05 -1.11452661e-14 -1.64595115e-16 6.08843606e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 1.17847303e-04 2.19087141e-04 3.18907733e-05] [-1.17847303e-04 -2.19087142e-04 3.18907745e-05] [-1.17847302e-04 2.19087140e-04 -3.18907734e-05] [ 1.17847303e-04 -2.19087141e-04 -3.18907737e-05] [-6.52068030e-06 8.01264585e-04 -1.96379608e-04] [ 6.52067275e-06 -8.01264597e-04 -1.96379597e-04] [ 6.52067263e-06 8.01264596e-04 1.96379598e-04] [-6.52067168e-06 -8.01264600e-04 1.96379598e-04] [-1.24644252e-04 -8.86034654e-05 2.15470443e-04] [-1.24644253e-04 8.86034620e-05 -2.15470446e-04] [ 1.24644252e-04 8.86034669e-05 2.15470439e-04] [ 1.24644251e-04 -8.86034650e-05 -2.15470443e-04] [-2.03161770e-04 5.35973874e-04 -3.69125240e-04] [ 2.03161768e-04 5.35973874e-04 3.69125240e-04] [-2.03161768e-04 -5.35973874e-04 3.69125239e-04] [ 2.03161763e-04 -5.35973883e-04 -3.69125237e-04] [-3.75020193e-05 5.39583668e-04 -6.22815489e-04] [ 3.75020193e-05 -5.39583668e-04 -6.22815492e-04] [ 3.75020256e-05 5.39583684e-04 6.22815499e-04] [-3.75020186e-05 -5.39583669e-04 6.22815489e-04] [ 7.73738402e-07 1.91491886e-04 -5.56316299e-04] [-7.73734082e-07 -1.91491878e-04 -5.56316297e-04] [-7.73737637e-07 1.91491881e-04 5.56316299e-04] [ 7.73740790e-07 -1.91491876e-04 5.56316304e-04]] Final stress: [ 5.22241326e-05 5.18961082e-05 2.92077806e-05 -1.68004227e-14 -4.34306063e-15 1.42624835e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 7.61851352e-04 -1.20773047e-03 5.19827170e-04] [-7.61851355e-04 1.20773047e-03 5.19827172e-04] [-7.61851350e-04 -1.20773047e-03 -5.19827168e-04] [ 7.61851352e-04 1.20773047e-03 -5.19827169e-04] [-6.57555888e-04 1.05290761e-04 3.79320978e-04] [ 6.57555890e-04 -1.05290757e-04 3.79320977e-04] [ 6.57555885e-04 1.05290764e-04 -3.79320981e-04] [-6.57555886e-04 -1.05290763e-04 -3.79320981e-04] [-7.21276680e-05 5.92356575e-04 9.97146696e-04] [-7.21276698e-05 -5.92356575e-04 -9.97146695e-04] [ 7.21276656e-05 -5.92356575e-04 9.97146696e-04] [ 7.21276748e-05 5.92356571e-04 -9.97146689e-04] [-8.67681726e-04 -1.27190890e-04 2.07959937e-04] [ 8.67681719e-04 -1.27190884e-04 -2.07959940e-04] [-8.67681729e-04 1.27190892e-04 -2.07959935e-04] [ 8.67681731e-04 1.27190891e-04 2.07959934e-04] [ 6.84761494e-04 -7.37734984e-04 1.90008280e-04] [-6.84761485e-04 7.37734977e-04 1.90008281e-04] [-6.84761491e-04 -7.37734980e-04 -1.90008279e-04] [ 6.84761483e-04 7.37734980e-04 -1.90008281e-04] [ 3.13475889e-04 5.87443964e-04 -8.23349943e-04] [-3.13475893e-04 -5.87443960e-04 -8.23349943e-04] [-3.13475898e-04 5.87443957e-04 8.23349941e-04] [ 3.13475902e-04 -5.87443962e-04 8.23349944e-04]] Final stress: [ 1.59655427e-05 -1.79697469e-05 4.43904216e-07 -7.32139071e-15 -9.13042755e-15 5.77397548e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-5.81516835e-04 1.15217773e-03 -5.01592107e-04] [ 5.81516837e-04 -1.15217772e-03 -5.01592110e-04] [ 5.81516837e-04 1.15217772e-03 5.01592110e-04] [-5.81516838e-04 -1.15217772e-03 5.01592111e-04] [ 1.11636015e-03 3.54403171e-04 -2.04772464e-04] [-1.11636015e-03 -3.54403176e-04 -2.04772466e-04] [-1.11636017e-03 3.54403192e-04 2.04772450e-04] [ 1.11636015e-03 -3.54403167e-04 2.04772472e-04] [ 4.22437558e-04 -3.53097955e-04 -7.20522024e-04] [ 4.22437561e-04 3.53097952e-04 7.20522017e-04] [-4.22437572e-04 3.53097946e-04 -7.20522010e-04] [-4.22437557e-04 -3.53097954e-04 7.20522025e-04] [ 6.14098165e-04 -3.54830866e-05 -6.14951390e-04] [-6.14098157e-04 -3.54830974e-05 6.14951396e-04] [ 6.14098168e-04 3.54830839e-05 6.14951386e-04] [-6.14098158e-04 3.54830941e-05 -6.14951392e-04] [ 5.06538089e-05 3.64715587e-04 -2.83511015e-04] [-5.06537989e-05 -3.64715587e-04 -2.83511027e-04] [-5.06538014e-05 3.64715589e-04 2.83511024e-04] [ 5.06537963e-05 -3.64715591e-04 2.83511020e-04] [-5.22088026e-04 -4.87430444e-04 1.09043591e-03] [ 5.22088027e-04 4.87430425e-04 1.09043592e-03] [ 5.22088019e-04 -4.87430431e-04 -1.09043591e-03] [-5.22088019e-04 4.87430446e-04 -1.09043593e-03]] Final stress: [-1.64942464e-05 1.44854946e-05 4.73894569e-07 -2.20761444e-15 2.72985915e-15 1.08261247e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-9.35675481e-05 -3.37315132e-04 5.22917556e-05] [ 9.35675496e-05 3.37315133e-04 5.22917535e-05] [ 9.35675486e-05 -3.37315132e-04 -5.22917550e-05] [-9.35675463e-05 3.37315130e-04 -5.22917572e-05] [-6.37671179e-05 -1.86914599e-03 1.37150965e-04] [ 6.37671199e-05 1.86914599e-03 1.37150961e-04] [ 6.37671198e-05 -1.86914599e-03 -1.37150963e-04] [-6.37671157e-05 1.86914599e-03 -1.37150969e-04] [ 9.11295941e-04 1.47973560e-04 -3.82432935e-04] [ 9.11295938e-04 -1.47973561e-04 3.82432934e-04] [-9.11295941e-04 -1.47973562e-04 -3.82432932e-04] [-9.11295939e-04 1.47973561e-04 3.82432932e-04] [ 2.40192010e-04 -3.05141705e-04 8.73685910e-04] [-2.40192017e-04 -3.05141700e-04 -8.73685915e-04] [ 2.40192014e-04 3.05141702e-04 -8.73685913e-04] [-2.40192011e-04 3.05141705e-04 8.73685911e-04] [ 5.05291043e-04 -8.85651333e-04 1.48453482e-03] [-5.05291041e-04 8.85651334e-04 1.48453483e-03] [-5.05291041e-04 -8.85651338e-04 -1.48453482e-03] [ 5.05291041e-04 8.85651338e-04 -1.48453482e-03] [-3.96216501e-04 -5.65717311e-05 1.24018075e-03] [ 3.96216498e-04 5.65717346e-05 1.24018075e-03] [ 3.96216494e-04 -5.65717318e-05 -1.24018074e-03] [-3.96216496e-04 5.65717333e-05 -1.24018074e-03]] Final stress: [-2.99537303e-05 -3.04847039e-05 -3.62077430e-05 1.06182431e-15 4.95456716e-17 -2.75888794e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 2.17600685e-04 2.89100552e-05 1.14949593e-04] [-2.17600687e-04 -2.89100580e-05 1.14949595e-04] [-2.17600685e-04 2.89100557e-05 -1.14949593e-04] [ 2.17600684e-04 -2.89100552e-05 -1.14949592e-04] [-9.16502832e-05 2.06288744e-04 -1.20899691e-04] [ 9.16502846e-05 -2.06288741e-04 -1.20899693e-04] [ 9.16502858e-05 2.06288740e-04 1.20899694e-04] [-9.16502863e-05 -2.06288740e-04 1.20899695e-04] [ 5.43384293e-04 -3.74082754e-04 -2.11598056e-04] [ 5.43384292e-04 3.74082755e-04 2.11598058e-04] [-5.43384292e-04 3.74082756e-04 -2.11598059e-04] [-5.43384295e-04 -3.74082754e-04 2.11598057e-04] [ 7.98651564e-04 -1.91040232e-04 -9.51597014e-06] [-7.98651568e-04 -1.91040230e-04 9.51596821e-06] [ 7.98651562e-04 1.91040235e-04 9.51597145e-06] [-7.98651565e-04 1.91040231e-04 -9.51596959e-06] [ 5.41758426e-04 -6.21548771e-04 -3.46842088e-05] [-5.41758423e-04 6.21548768e-04 -3.46842109e-05] [-5.41758427e-04 -6.21548770e-04 3.46842076e-05] [ 5.41758429e-04 6.21548769e-04 3.46842094e-05] [ 2.02555284e-04 -5.51202183e-04 6.90566721e-06] [-2.02555280e-04 5.51202185e-04 6.90566701e-06] [-2.02555281e-04 -5.51202185e-04 -6.90567033e-06] [ 2.02555283e-04 5.51202179e-04 -6.90566836e-06]] Final stress: [ 5.21198232e-05 2.94805693e-05 5.24476103e-05 -2.43428111e-15 2.24082512e-15 -8.64112598e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.19134683e-03 -4.79128856e-04 -6.41267979e-04] [-1.19134683e-03 4.79128858e-04 -6.41267981e-04] [-1.19134683e-03 -4.79128856e-04 6.41267979e-04] [ 1.19134683e-03 4.79128854e-04 6.41267978e-04] [-3.84695507e-04 -6.84857395e-04 3.77658183e-04] [ 3.84695511e-04 6.84857399e-04 3.77658178e-04] [ 3.84695507e-04 -6.84857392e-04 -3.77658184e-04] [-3.84695518e-04 6.84857411e-04 -3.77658171e-04] [-8.37044275e-06 -5.72865338e-04 5.84274554e-04] [-8.37043794e-06 5.72865337e-04 -5.84274556e-04] [ 8.37043273e-06 5.72865331e-04 5.84274564e-04] [ 8.37043923e-06 -5.72865335e-04 -5.84274556e-04] [ 3.49004886e-04 -1.85126859e-04 1.10555006e-03] [-3.49004883e-04 -1.85126864e-04 -1.10555006e-03] [ 3.49004884e-04 1.85126859e-04 -1.10555006e-03] [-3.49004877e-04 1.85126869e-04 1.10555005e-03] [ 3.22132652e-04 -3.26376750e-04 1.37279463e-04] [-3.22132641e-04 3.26376747e-04 1.37279458e-04] [-3.22132651e-04 -3.26376759e-04 -1.37279464e-04] [ 3.22132643e-04 3.26376750e-04 -1.37279461e-04] [-5.09786354e-04 1.10611076e-03 -5.13717975e-04] [ 5.09786354e-04 -1.10611078e-03 -5.13717972e-04] [ 5.09786355e-04 1.10611077e-03 5.13717977e-04] [-5.09786355e-04 -1.10611077e-03 5.13717968e-04]] Final stress: [ 1.47061489e-05 4.78734941e-07 -1.67260684e-05 7.90881197e-15 -7.85605174e-16 -5.42397274e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.12258594e-03 5.56149817e-04 6.36953399e-04] [ 1.12258594e-03 -5.56149818e-04 6.36953400e-04] [ 1.12258593e-03 5.56149821e-04 -6.36953404e-04] [-1.12258594e-03 -5.56149816e-04 -6.36953397e-04] [ 5.56032886e-04 1.01290620e-03 -9.54730852e-05] [-5.56032886e-04 -1.01290619e-03 -9.54730870e-05] [-5.56032889e-04 1.01290620e-03 9.54730782e-05] [ 5.56032875e-04 -1.01290618e-03 9.54731016e-05] [-1.91967911e-04 3.85264953e-04 -9.20145463e-04] [-1.91967901e-04 -3.85264958e-04 9.20145453e-04] [ 1.91967909e-04 -3.85264950e-04 -9.20145466e-04] [ 1.91967912e-04 3.85264946e-04 9.20145475e-04] [ 1.54293754e-04 4.70539281e-04 -7.94033275e-04] [-1.54293750e-04 4.70539282e-04 7.94033278e-04] [ 1.54293755e-04 -4.70539283e-04 7.94033272e-04] [-1.54293759e-04 -4.70539287e-04 -7.94033271e-04] [-5.60443191e-04 2.67405076e-04 4.25082258e-04] [ 5.60443196e-04 -2.67405085e-04 4.25082236e-04] [ 5.60443190e-04 2.67405082e-04 -4.25082244e-04] [-5.60443194e-04 -2.67405076e-04 -4.25082255e-04] [ 6.64768122e-04 -7.71091364e-04 1.88174035e-04] [-6.64768114e-04 7.71091362e-04 1.88174060e-04] [-6.64768111e-04 -7.71091363e-04 -1.88174046e-04] [ 6.64768112e-04 7.71091359e-04 -1.88174052e-04]] Final stress: [-2.07922661e-05 4.84709244e-07 1.87791401e-05 -2.82121360e-14 9.51887920e-15 -5.52947432e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-3.43484292e-04 4.76041821e-05 -9.93889292e-05] [ 3.43484295e-04 -4.76041796e-05 -9.93889322e-05] [ 3.43484293e-04 4.76041811e-05 9.93889307e-05] [-3.43484294e-04 -4.76041796e-05 9.93889324e-05] [ 1.47815411e-04 -3.83061625e-04 9.08159766e-04] [-1.47815410e-04 3.83061624e-04 9.08159764e-04] [-1.47815411e-04 -3.83061622e-04 -9.08159766e-04] [ 1.47815413e-04 3.83061620e-04 -9.08159764e-04] [-3.08207501e-04 8.72097038e-04 2.40958610e-04] [-3.08207499e-04 -8.72097040e-04 -2.40958614e-04] [ 3.08207498e-04 -8.72097042e-04 2.40958618e-04] [ 3.08207500e-04 8.72097040e-04 -2.40958612e-04] [-1.86791843e-03 1.38884578e-04 -6.27372024e-05] [ 1.86791843e-03 1.38884577e-04 6.27372029e-05] [-1.86791843e-03 -1.38884582e-04 6.27371985e-05] [ 1.86791843e-03 -1.38884582e-04 -6.27371983e-05] [-8.83734117e-04 1.48039941e-03 5.04870895e-04] [ 8.83734114e-04 -1.48039940e-03 5.04870897e-04] [ 8.83734116e-04 1.48039941e-03 -5.04870899e-04] [-8.83734117e-04 -1.48039940e-03 -5.04870897e-04] [-5.17623447e-05 1.24233073e-03 -3.91209383e-04] [ 5.17623458e-05 -1.24233073e-03 -3.91209377e-04] [ 5.17623427e-05 1.24233073e-03 3.91209385e-04] [-5.17623445e-05 -1.24233073e-03 3.91209375e-04]] Final stress: [-3.05244661e-05 -3.61572599e-05 -2.99929671e-05 1.03765768e-14 5.55566219e-15 9.84462052e-15] Minimization converged after 105 steps. Minimization converged after 107 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 76 steps. Final forces: [[-0.00238365 -0.01343131 0.02651444] [ 0.00127821 -0.00779234 0.01401585] [ 0.00127825 0.00779231 -0.0140158 ] [-0.00238366 0.01343133 -0.02651442] [ 0.01781564 0.00689826 0.01623275] [-0.00982447 -0.00449566 0.00358502] [-0.00982453 0.00449571 -0.00358505] [ 0.01781566 -0.00689828 -0.01623276] [-0.00737128 0.01165919 -0.01129607] [-0.00737129 -0.0116592 0.01129607] [-0.00543613 0.02142442 -0.00476076] [-0.0054361 -0.02142442 0.00476078] [-0.02349425 -0.01904649 0.0127998 ] [ 0.01877227 0.00341686 0.00283927] [-0.02349425 0.0190465 -0.01279979] [ 0.01877229 -0.00341685 -0.00283927] [-0.00199462 0.01245468 0.00541281] [ 0.01090318 -0.00415218 0.00624934] [ 0.01090315 0.00415221 -0.00624934] [-0.00199466 -0.01245473 -0.00541281] [ 0.00524379 -0.00701477 0.00551868] [-0.00350867 0.00261141 -0.0030647 ] [-0.00350872 -0.00261141 0.00306468] [ 0.00524384 0.00701476 -0.0055187 ]] Final stress: [ 1.21231217e-02 3.72214792e-03 3.62085326e-03 -5.39602164e-05 -2.64849494e-11 4.29011708e-11] Minimization converged after 102 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00282464 0.00963546 0.01164024] [ 0.00612471 -0.00722543 -0.00249449] [ 0.00282464 0.00963546 -0.01164024] [-0.00612471 -0.00722543 0.00249449] [ 0.00025601 -0.00270272 0.00362679] [-0.00454051 0.00928881 0.00433881] [-0.00025601 -0.00270272 -0.00362679] [ 0.00454051 0.00928881 -0.00433881] [ 0.0004808 -0.00130023 -0.00062714] [ 0.00449 -0.00212796 0.00166694] [-0.00449 -0.00212796 -0.00166694] [-0.0004808 -0.00130023 0.00062714] [ 0.00077724 -0.00711952 -0.00925961] [-0.00077724 -0.00711952 0.00925961] [ 0.00154167 -0.01453889 0.0132254 ] [-0.00154167 -0.01453889 -0.0132254 ] [ 0.00313722 0.00377852 0.01484482] [ 0.00013179 0.0002327 -0.0075683 ] [-0.00313722 0.00377852 -0.01484482] [-0.00013179 0.0002327 0.0075683 ] [-0.00237468 0.006315 0.0044102 ] [-0.00256933 0.00576426 0.00274231] [ 0.00237468 0.006315 -0.0044102 ] [ 0.00256933 0.00576426 -0.00274231]] Final stress: [ 2.77920940e-04 -5.28570018e-05 -6.57305681e-05 3.05996404e-15 -3.70361191e-04 -9.04786583e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-6.21131880e-03 7.14992721e-03 -2.57344588e-03] [ 2.74005662e-03 -9.73735719e-03 1.17272806e-02] [ 6.21131880e-03 7.14992721e-03 2.57344588e-03] [-2.74005662e-03 -9.73735719e-03 -1.17272806e-02] [ 4.50831753e-03 -9.35133486e-03 4.42638716e-03] [-2.63299663e-04 2.71980889e-03 3.63493963e-03] [-4.50831753e-03 -9.35133487e-03 -4.42638715e-03] [ 2.63299658e-04 2.71980890e-03 -3.63493963e-03] [ 4.59545947e-03 2.08893065e-03 -1.76588369e-03] [ 5.11456016e-04 1.31840480e-03 6.59856361e-04] [-5.11456016e-04 1.31840480e-03 -6.59856364e-04] [-4.59545947e-03 2.08893065e-03 1.76588369e-03] [ 1.59001995e-03 1.46861361e-02 -1.32085015e-02] [-1.59001995e-03 1.46861361e-02 1.32085015e-02] [ 6.33308172e-04 7.13019162e-03 9.35407319e-03] [-6.33308177e-04 7.13019162e-03 -9.35407319e-03] [-6.04503576e-05 -2.49068748e-04 -7.53239828e-03] [-3.13406012e-03 -3.81583227e-03 1.47818201e-02] [ 6.04503581e-05 -2.49068756e-04 7.53239828e-03] [ 3.13406012e-03 -3.81583227e-03 -1.47818201e-02] [ 2.56600334e-03 -5.68095627e-03 2.81267245e-03] [ 2.29889569e-03 -6.25884993e-03 4.37389768e-03] [-2.56600333e-03 -5.68095627e-03 -2.81267245e-03] [-2.29889569e-03 -6.25884993e-03 -4.37389768e-03]] Final stress: [ 2.80802637e-04 -5.00224119e-05 -6.28550368e-05 6.58811050e-15 3.70516799e-04 -4.76027508e-15] Minimization converged after 98 steps. Minimization converged after 97 steps. Minimization converged after 81 steps. Minimization converged after 82 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 2.21472824e-04 -4.79666129e-05 5.30742539e-05] [-2.21472824e-04 4.79666135e-05 5.30742536e-05] [-2.21472825e-04 -4.79666126e-05 -5.30742540e-05] [ 2.21472825e-04 4.79666120e-05 -5.30742549e-05] [-8.75044827e-05 3.39855203e-04 2.57192881e-04] [ 8.75044829e-05 -3.39855203e-04 2.57192882e-04] [ 8.75044862e-05 3.39855199e-04 -2.57192877e-04] [-8.75044844e-05 -3.39855201e-04 -2.57192881e-04] [-3.26775597e-04 -3.97851876e-04 9.15275499e-04] [-3.26775597e-04 3.97851878e-04 -9.15275496e-04] [ 3.26775599e-04 3.97851877e-04 9.15275497e-04] [ 3.26775594e-04 -3.97851875e-04 -9.15275501e-04] [-8.75078575e-05 2.15049004e-04 -1.06746382e-03] [ 8.75078602e-05 2.15049001e-04 1.06746382e-03] [-8.75078601e-05 -2.15049001e-04 1.06746382e-03] [ 8.75078580e-05 -2.15049002e-04 -1.06746382e-03] [-7.19267949e-04 6.51171410e-04 2.95057350e-04] [ 7.19267946e-04 -6.51171409e-04 2.95057352e-04] [ 7.19267947e-04 6.51171408e-04 -2.95057354e-04] [-7.19267945e-04 -6.51171410e-04 -2.95057352e-04] [-2.16827540e-04 4.91359265e-04 -4.24068810e-04] [ 2.16827539e-04 -4.91359268e-04 -4.24068815e-04] [ 2.16827544e-04 4.91359268e-04 4.24068811e-04] [-2.16827545e-04 -4.91359268e-04 4.24068814e-04]] Final stress: [ 1.88744086e-05 7.26278645e-05 2.01191043e-05 4.61769854e-15 -2.87898741e-16 -2.67958508e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-1.52469014e-04 2.19690067e-04 4.81249729e-05] [ 1.52469011e-04 -2.19690069e-04 4.81249755e-05] [ 1.52469014e-04 2.19690067e-04 -4.81249726e-05] [-1.52469012e-04 -2.19690068e-04 -4.81249742e-05] [ 2.68490404e-04 -1.71905315e-04 -1.83111067e-04] [-2.68490403e-04 1.71905318e-04 -1.83111064e-04] [-2.68490406e-04 -1.71905313e-04 1.83111064e-04] [ 2.68490404e-04 1.71905315e-04 1.83111064e-04] [ 2.64486636e-04 4.81653768e-04 -1.10830195e-03] [ 2.64486637e-04 -4.81653769e-04 1.10830195e-03] [-2.64486637e-04 -4.81653767e-04 -1.10830195e-03] [-2.64486634e-04 4.81653767e-04 1.10830195e-03] [ 2.89391003e-04 -6.53370533e-05 1.45381638e-03] [-2.89391002e-04 -6.53370543e-05 -1.45381638e-03] [ 2.89390995e-04 6.53370590e-05 -1.45381638e-03] [-2.89390994e-04 6.53370591e-05 1.45381638e-03] [ 7.84630675e-04 -7.43806953e-04 -2.14100516e-04] [-7.84630668e-04 7.43806949e-04 -2.14100517e-04] [-7.84630674e-04 -7.43806951e-04 2.14100520e-04] [ 7.84630666e-04 7.43806947e-04 2.14100515e-04] [ 9.77186110e-05 -4.63522961e-04 4.27867738e-04] [-9.77186147e-05 4.63522960e-04 4.27867735e-04] [-9.77186137e-05 -4.63522963e-04 -4.27867740e-04] [ 9.77186167e-05 4.63522960e-04 -4.27867733e-04]] Final stress: [-2.14876519e-05 -6.92272349e-05 -2.04838463e-05 -4.46050861e-15 -1.02404924e-14 3.88994806e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 6.96935578e-06 8.99475023e-05 1.72510636e-04] [-6.96935599e-06 -8.99475013e-05 1.72510635e-04] [-6.96935573e-06 8.99475023e-05 -1.72510635e-04] [ 6.96935751e-06 -8.99475036e-05 -1.72510637e-04] [-4.28856944e-04 -2.51714387e-04 4.43900633e-04] [ 4.28856946e-04 2.51714390e-04 4.43900631e-04] [ 4.28856945e-04 -2.51714388e-04 -4.43900632e-04] [-4.28856949e-04 2.51714395e-04 -4.43900630e-04] [-1.80979416e-05 -6.13430894e-05 6.78340109e-04] [-1.80979377e-05 6.13430906e-05 -6.78340109e-04] [ 1.80979333e-05 6.13430845e-05 6.78340117e-04] [ 1.80979380e-05 -6.13430879e-05 -6.78340112e-04] [ 1.28185872e-04 -8.58127726e-05 -1.97324729e-04] [-1.28185875e-04 -8.58127711e-05 1.97324727e-04] [ 1.28185867e-04 8.58127747e-05 1.97324731e-04] [-1.28185863e-04 8.58127809e-05 -1.97324734e-04] [-4.79737109e-04 -3.47662926e-05 4.88429261e-04] [ 4.79737121e-04 3.47662881e-05 4.88429265e-04] [ 4.79737109e-04 -3.47663003e-05 -4.88429264e-04] [-4.79737115e-04 3.47662931e-05 -4.88429262e-04] [-4.61643941e-04 1.10909345e-04 1.15645964e-04] [ 4.61643937e-04 -1.10909355e-04 1.15645959e-04] [ 4.61643941e-04 1.10909352e-04 -1.15645960e-04] [-4.61643937e-04 -1.10909349e-04 -1.15645963e-04]] Final stress: [ 3.23651581e-05 5.42172664e-05 5.39895616e-05 3.49771322e-15 -9.25181096e-15 -6.65143403e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.37832324e-04 6.84605509e-04 -1.15035512e-03] [-5.37832325e-04 -6.84605508e-04 -1.15035512e-03] [-5.37832323e-04 6.84605507e-04 1.15035512e-03] [ 5.37832328e-04 -6.84605512e-04 1.15035512e-03] [ 3.25206317e-04 -8.83331818e-04 -1.90996864e-04] [-3.25206319e-04 8.83331813e-04 -1.90996859e-04] [-3.25206314e-04 -8.83331822e-04 1.90996867e-04] [ 3.25206312e-04 8.83331825e-04 1.90996865e-04] [ 4.17612637e-04 -7.46903949e-04 1.43149258e-04] [ 4.17612640e-04 7.46903949e-04 -1.43149258e-04] [-4.17612643e-04 7.46903943e-04 1.43149265e-04] [-4.17612641e-04 -7.46903945e-04 -1.43149264e-04] [ 9.80856193e-04 -4.47041878e-05 5.66523142e-04] [-9.80856188e-04 -4.47041936e-05 -5.66523139e-04] [ 9.80856189e-04 4.47041874e-05 -5.66523139e-04] [-9.80856178e-04 4.47042019e-05 5.66523132e-04] [ 2.45521355e-04 5.07237204e-04 -6.18134785e-04] [-2.45521349e-04 -5.07237199e-04 -6.18134781e-04] [-2.45521359e-04 5.07237189e-04 6.18134782e-04] [ 2.45521351e-04 -5.07237197e-04 6.18134779e-04] [-8.18528918e-04 2.53124896e-04 6.44647394e-04] [ 8.18528911e-04 -2.53124907e-04 6.44647384e-04] [ 8.18528917e-04 2.53124914e-04 -6.44647390e-04] [-8.18528917e-04 -2.53124901e-04 -6.44647389e-04]] Final stress: [ 4.72581363e-07 1.81067380e-05 -2.00955867e-05 1.41350986e-14 -1.11570201e-14 -1.36474297e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-4.59883703e-04 -6.94931130e-04 1.22745216e-03] [ 4.59883698e-04 6.94931125e-04 1.22745217e-03] [ 4.59883699e-04 -6.94931125e-04 -1.22745217e-03] [-4.59883699e-04 6.94931126e-04 -1.22745217e-03] [-4.82836851e-04 5.45575183e-04 -4.22712141e-05] [ 4.82836845e-04 -5.45575194e-04 -4.22711986e-05] [ 4.82836848e-04 5.45575188e-04 4.22712029e-05] [-4.82836852e-04 -5.45575181e-04 4.22712074e-05] [-1.25063341e-04 1.01948540e-03 3.65870140e-04] [-1.25063337e-04 -1.01948540e-03 -3.65870140e-04] [ 1.25063347e-04 -1.01948539e-03 3.65870123e-04] [ 1.25063345e-04 1.01948539e-03 -3.65870130e-04] [-6.72222235e-04 3.48883368e-04 -3.91861027e-04] [ 6.72222235e-04 3.48883372e-04 3.91861026e-04] [-6.72222236e-04 -3.48883369e-04 3.91861027e-04] [ 6.72222255e-04 -3.48883356e-04 -3.91861040e-04] [-2.65129238e-04 -5.49851923e-05 4.56492725e-04] [ 2.65129239e-04 5.49851865e-05 4.56492710e-04] [ 2.65129225e-04 -5.49851987e-05 -4.56492700e-04] [-2.65129238e-04 5.49851971e-05 -4.56492723e-04] [ 1.15269563e-03 -6.11640723e-04 -4.62555673e-04] [-1.15269564e-03 6.11640722e-04 -4.62555677e-04] [-1.15269564e-03 -6.11640718e-04 4.62555673e-04] [ 1.15269564e-03 6.11640717e-04 4.62555690e-04]] Final stress: [ 4.53922957e-07 -1.50989033e-05 1.31050286e-05 -1.66146457e-14 -1.53961603e-14 -2.20884940e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 4.68510380e-05 -1.00159435e-04 -3.44342513e-04] [-4.68510338e-05 1.00159439e-04 -3.44342517e-04] [-4.68510381e-05 -1.00159435e-04 3.44342513e-04] [ 4.68510378e-05 1.00159435e-04 3.44342513e-04] [ 8.72154269e-04 2.40520595e-04 -3.07780106e-04] [-8.72154269e-04 -2.40520595e-04 -3.07780108e-04] [-8.72154269e-04 2.40520595e-04 3.07780104e-04] [ 8.72154271e-04 -2.40520597e-04 3.07780100e-04] [ 1.39064246e-04 -6.31494385e-05 -1.86920194e-03] [ 1.39064245e-04 6.31494402e-05 1.86920194e-03] [-1.39064245e-04 6.31494387e-05 -1.86920194e-03] [-1.39064250e-04 -6.31494342e-05 1.86920193e-03] [-3.83637516e-04 9.08950123e-04 1.47609498e-04] [ 3.83637509e-04 9.08950127e-04 -1.47609503e-04] [-3.83637509e-04 -9.08950126e-04 -1.47609503e-04] [ 3.83637510e-04 -9.08950124e-04 1.47609502e-04] [ 1.48124913e-03 5.05447702e-04 -8.83633210e-04] [-1.48124914e-03 -5.05447705e-04 -8.83633204e-04] [-1.48124914e-03 5.05447700e-04 8.83633211e-04] [ 1.48124914e-03 -5.05447702e-04 8.83633218e-04] [ 1.24358395e-03 -3.90684349e-04 -5.09598333e-05] [-1.24358395e-03 3.90684344e-04 -5.09598363e-05] [-1.24358395e-03 -3.90684347e-04 5.09598416e-05] [ 1.24358395e-03 3.90684348e-04 5.09598408e-05]] Final stress: [-3.61473621e-05 -2.99622593e-05 -3.04941597e-05 1.38000080e-14 9.51395163e-15 -7.55956085e-15] Minimization converged after 92 steps. Minimization converged after 101 steps. Minimization converged after 83 steps. Minimization converged after 83 steps. Minimization converged after 104 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 79 steps. Final forces: [[-2.44408792e-03 4.35609826e-03 -9.17293453e-03] [-4.86676823e-03 -1.67009084e-02 -4.96728002e-03] [ 2.44411193e-03 4.35607987e-03 9.17294429e-03] [ 4.86672622e-03 -1.67008800e-02 4.96730753e-03] [ 3.23058999e-03 -1.47676405e-02 1.16605517e-02] [-8.10393484e-03 1.42625993e-02 -3.39557937e-04] [-3.23062085e-03 -1.47676285e-02 -1.16605849e-02] [ 8.10395925e-03 1.42625982e-02 3.39542242e-04] [ 2.14098151e-02 1.87230547e-03 -9.39554212e-03] [ 5.62924920e-03 -1.57978433e-02 -1.96357080e-02] [-5.62927154e-03 -1.57978436e-02 1.96357219e-02] [-2.14097825e-02 1.87228856e-03 9.39557731e-03] [-8.88123436e-03 2.43722912e-02 -1.48642676e-02] [ 8.88120868e-03 2.43723137e-02 1.48642565e-02] [-1.42229924e-02 -1.74596270e-03 3.05564621e-03] [ 1.42230304e-02 -1.74593935e-03 -3.05567088e-03] [ 8.45413663e-06 3.25287939e-02 9.92109609e-03] [-3.34774587e-03 -4.64444386e-02 4.92949984e-03] [-8.44565305e-06 3.25287961e-02 -9.92107712e-03] [ 3.34773649e-03 -4.64444350e-02 -4.92951871e-03] [-9.54069487e-03 -1.05497664e-02 3.15770458e-02] [ 3.61988415e-02 2.86144490e-02 1.01792968e-02] [ 9.54063047e-03 -1.05497616e-02 -3.15770434e-02] [-3.61987743e-02 2.86144344e-02 -1.01793010e-02]] Final stress: [ 4.09341127e-03 1.24789186e-02 3.87872080e-03 -4.38486235e-13 2.19356521e-04 3.86445477e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 75 steps. Final forces: [[ 0.00244907 -0.00080513 -0.00379408] [-0.00203928 -0.00109894 0.00164118] [-0.00244907 -0.00080512 0.00379408] [ 0.00203928 -0.00109894 -0.00164118] [-0.00063033 -0.00189925 -0.00549229] [ 0.00213451 0.00157808 -0.00067094] [ 0.00063033 -0.00189925 0.00549229] [-0.00213451 0.00157808 0.00067094] [ 0.00421633 0.00254462 0.00315797] [-0.00034315 0.00062074 0.00139732] [ 0.00034315 0.00062074 -0.00139732] [-0.00421633 0.00254461 -0.00315797] [-0.00428229 -0.00506684 -0.00092285] [ 0.00428229 -0.00506684 0.00092285] [-0.00025471 0.00212895 -0.00072014] [ 0.00025471 0.00212895 0.00072014] [-0.0012364 -0.00511801 0.00013946] [-0.00025753 0.00408307 -0.00404222] [ 0.0012364 -0.00511801 -0.00013946] [ 0.00025753 0.00408307 0.00404222] [ 0.00354311 0.00373481 -0.00349891] [ 0.00061581 -0.0007021 0.00292657] [-0.00354311 0.00373481 0.00349891] [-0.0006158 -0.0007021 -0.00292657]] Final stress: [ 3.55842034e-03 1.21241147e-02 3.55224223e-03 -1.51336168e-12 -1.81175555e-06 -1.69794686e-12] Minimization converged after 109 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.16115935e-02 -2.80919095e-03 9.59557814e-03] [-1.16115935e-02 2.80919095e-03 9.59557814e-03] [ 2.46664673e-03 -6.09141253e-03 -7.27464601e-03] [-2.46664673e-03 6.09141253e-03 -7.27464601e-03] [-9.22011137e-03 7.91711065e-04 -7.16715336e-03] [ 9.22011138e-03 -7.91711062e-04 -7.16715337e-03] [ 1.31327898e-02 1.65944009e-03 -1.45631174e-02] [-1.31327898e-02 -1.65944009e-03 -1.45631174e-02] [ 3.71611541e-03 2.99808142e-04 -2.61861323e-03] [ 4.22232702e-03 -4.53841876e-03 9.29702855e-03] [-3.71611540e-03 -2.99808134e-04 -2.61861324e-03] [-4.22232701e-03 4.53841875e-03 9.29702856e-03] [-6.25523888e-04 4.91491687e-04 -1.28243382e-03] [ 1.75778416e-03 4.32618508e-03 -2.08628801e-03] [-1.75778416e-03 -4.32618508e-03 -2.08628801e-03] [ 6.25523894e-04 -4.91491689e-04 -1.28243382e-03] [ 1.50404156e-02 2.95937648e-03 3.88572879e-03] [-1.50404156e-02 -2.95937649e-03 3.88572879e-03] [ 7.58791954e-03 -5.51510481e-05 3.42217097e-04] [-7.58791955e-03 5.51510535e-05 3.42217099e-04] [ 4.30944641e-03 -2.35306482e-03 6.21701391e-03] [-4.30944642e-03 2.35306483e-03 6.21701391e-03] [-2.67030616e-03 2.50341123e-03 5.65468538e-03] [ 2.67030616e-03 -2.50341124e-03 5.65468538e-03]] Final stress: [-6.71070494e-05 2.75210920e-04 -5.41755941e-05 -1.43653420e-14 -1.00157879e-14 -3.70284084e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00256373 -0.00617871 0.00717243] [ 0.00256373 0.00617871 0.00717243] [-0.0117181 -0.00275864 -0.00971985] [ 0.0117181 0.00275864 -0.00971985] [-0.01319388 0.00160952 0.01463591] [ 0.01319388 -0.00160952 0.01463591] [ 0.00931704 0.00069077 0.00703988] [-0.00931704 -0.00069077 0.00703988] [ 0.00440223 0.00450591 -0.00935237] [ 0.00368043 -0.000249 0.00270163] [-0.00440223 -0.00450591 -0.00935237] [-0.00368043 0.000249 0.00270163] [-0.0018235 0.00453444 0.0020137 ] [ 0.0007244 0.00052614 0.00133391] [-0.0007244 -0.00052614 0.00133391] [ 0.0018235 -0.00453444 0.0020137 ] [-0.00750426 -0.00012862 -0.00022912] [ 0.00750426 0.00012862 -0.00022912] [-0.01485977 0.00306231 -0.0037398 ] [ 0.01485977 -0.00306231 -0.0037398 ] [ 0.00277377 0.00257146 -0.00557532] [-0.00277377 -0.00257146 -0.00557532] [-0.00433331 -0.00225051 -0.006281 ] [ 0.00433331 0.00225051 -0.006281 ]] Final stress: [-6.24025068e-05 2.80697494e-04 -4.95882788e-05 1.90469848e-15 -4.81332360e-16 3.70682883e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 5.08737987e-05 2.18023532e-04 -4.88851873e-05] [-5.08737974e-05 -2.18023531e-04 -4.88851885e-05] [-5.08737989e-05 2.18023532e-04 4.88851872e-05] [ 5.08737984e-05 -2.18023532e-04 4.88851875e-05] [-1.06362309e-03 -9.06142165e-05 2.19275975e-04] [ 1.06362309e-03 9.06142189e-05 2.19275972e-04] [ 1.06362309e-03 -9.06142198e-05 -2.19275972e-04] [-1.06362309e-03 9.06142204e-05 -2.19275973e-04] [ 2.58409112e-04 -8.75488181e-05 3.37926542e-04] [ 2.58409109e-04 8.75488219e-05 -3.37926536e-04] [-2.58409109e-04 8.75488200e-05 3.37926539e-04] [-2.58409113e-04 -8.75488179e-05 -3.37926543e-04] [ 9.13065412e-04 -3.28252803e-04 -3.95890261e-04] [-9.13065412e-04 -3.28252802e-04 3.95890260e-04] [ 9.13065414e-04 3.28252803e-04 3.95890260e-04] [-9.13065413e-04 3.28252804e-04 -3.95890260e-04] [ 2.96604326e-04 -7.16905878e-04 6.54333634e-04] [-2.96604330e-04 7.16905876e-04 6.54333633e-04] [-2.96604327e-04 -7.16905881e-04 -6.54333637e-04] [ 2.96604330e-04 7.16905878e-04 -6.54333632e-04] [-4.21784333e-04 -2.18841595e-04 4.92110956e-04] [ 4.21784334e-04 2.18841591e-04 4.92110953e-04] [ 4.21784334e-04 -2.18841594e-04 -4.92110955e-04] [-4.21784336e-04 2.18841591e-04 -4.92110955e-04]] Final stress: [ 2.01888761e-05 1.89452073e-05 7.27434090e-05 4.28905407e-15 7.78887577e-15 -1.94343042e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 2.57030986e-05 -1.74964560e-04 1.99690211e-04] [-2.57030975e-05 1.74964561e-04 1.99690210e-04] [-2.57030994e-05 -1.74964559e-04 -1.99690211e-04] [ 2.57031001e-05 1.74964558e-04 -1.99690212e-04] [ 1.46210507e-03 2.93019019e-04 -7.99513801e-05] [-1.46210507e-03 -2.93019019e-04 -7.99513819e-05] [-1.46210507e-03 2.93019014e-04 7.99513841e-05] [ 1.46210507e-03 -2.93019011e-04 7.99513862e-05] [-1.94243760e-04 2.82583324e-04 -1.55199471e-04] [-1.94243759e-04 -2.82583323e-04 1.55199472e-04] [ 1.94243756e-04 -2.82583327e-04 -1.55199466e-04] [ 1.94243757e-04 2.82583325e-04 1.55199470e-04] [-1.09822412e-03 2.46382894e-04 4.93041039e-04] [ 1.09822412e-03 2.46382893e-04 -4.93041039e-04] [-1.09822412e-03 -2.46382896e-04 -4.93041040e-04] [ 1.09822412e-03 -2.46382892e-04 4.93041040e-04] [-2.19187423e-04 7.85630415e-04 -7.44093372e-04] [ 2.19187425e-04 -7.85630414e-04 -7.44093371e-04] [ 2.19187424e-04 7.85630408e-04 7.44093367e-04] [-2.19187423e-04 -7.85630410e-04 7.44093370e-04] [ 4.39383547e-04 8.47336087e-05 -4.56786424e-04] [-4.39383545e-04 -8.47336134e-05 -4.56786423e-04] [-4.39383542e-04 8.47336156e-05 4.56786424e-04] [ 4.39383542e-04 -8.47336120e-05 4.56786420e-04]] Final stress: [-2.08361580e-05 -2.18476153e-05 -6.96758694e-05 5.03198734e-15 2.02973899e-15 -6.15777506e-15] Minimization converged after 107 steps. Minimization converged after 99 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 0.00976128 0.01174833 -0.0027222 ] [-0.00711127 0.00261259 -0.00622253] [-0.00711127 -0.00261259 0.00622253] [ 0.00976128 -0.01174833 0.0027222 ] [-0.001332 -0.00072756 0.00052473] [-0.00205185 0.00178354 0.00472194] [-0.00205185 -0.00178354 -0.00472194] [-0.001332 0.00072756 -0.00052473] [-0.00700031 -0.00935109 0.00063559] [-0.00700031 0.00935109 -0.00063559] [-0.01463262 0.01326681 0.00151197] [-0.01463262 -0.01326681 -0.00151197] [-0.00277368 0.00361063 0.00022244] [ 0.00934769 0.0044864 -0.00448733] [-0.00277368 -0.00361063 -0.00022244] [ 0.00934769 -0.0044864 0.00448733] [ 0.00365828 0.01466422 0.00320624] [ 0.00012809 0.00745081 -0.00017523] [ 0.00012809 -0.00745081 0.00017523] [ 0.00365828 -0.01466422 -0.00320624] [ 0.00635048 0.00443445 -0.00225883] [ 0.00565591 -0.00281728 0.0026179 ] [ 0.00565591 0.00281728 -0.0026179 ] [ 0.00635048 -0.00443445 0.00225883]] Final stress: [-4.79056767e-05 -6.06906264e-05 2.83328781e-04 -3.70254090e-04 1.07695399e-14 -7.26806985e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 0.00716391 -0.00255123 -0.00617373] [-0.0097232 -0.01170665 -0.00276114] [-0.0097232 0.01170665 0.00276114] [ 0.00716391 0.00255123 0.00617373] [ 0.00208024 -0.00174282 0.00466115] [ 0.00133292 0.00069653 0.0005085 ] [ 0.00133292 -0.00069653 -0.0005085 ] [ 0.00208024 0.00174282 -0.00466115] [ 0.01461783 -0.01326316 0.00150557] [ 0.01461783 0.01326316 -0.00150557] [ 0.0070472 0.00932295 0.00068588] [ 0.0070472 -0.00932295 -0.00068588] [-0.00932593 0.00445079 0.00450041] [ 0.00275134 0.00361243 -0.00022856] [-0.00932593 -0.00445079 -0.00450041] [ 0.00275134 -0.00361243 0.00022856] [-0.00017238 -0.0074925 -0.00018262] [-0.00371946 -0.01472012 0.00321548] [-0.00371946 0.01472012 -0.00321548] [-0.00017238 0.0074925 0.00018262] [-0.00571547 0.00278139 0.00260291] [-0.006337 -0.0044455 -0.00230837] [-0.006337 0.0044455 0.00230837] [-0.00571547 -0.00278139 -0.00260291]] Final stress: [-4.94453974e-05 -6.22772614e-05 2.81649258e-04 3.70296757e-04 -3.02381139e-14 2.62296371e-14] Minimization converged after 101 steps. Minimization converged after 98 steps. Minimization converged after 81 steps. Minimization converged after 81 steps. Minimization converged after 104 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 77 steps. Final forces: [[ 2.81837908e-03 -1.64236815e-04 2.22673904e-03] [-2.81838075e-03 1.64233366e-04 2.22674322e-03] [ 2.72084409e-03 -4.96547719e-04 1.88562637e-03] [-2.72084576e-03 4.96550350e-04 1.88562857e-03] [ 6.73119270e-04 1.80632168e-03 -1.50278709e-03] [-6.73120111e-04 -1.80632284e-03 -1.50278487e-03] [-1.47383547e-04 -1.55774707e-03 1.45027888e-03] [ 1.47384568e-04 1.55774570e-03 1.45027854e-03] [ 9.40423086e-07 -8.74658263e-04 3.69461647e-04] [ 6.55169178e-04 1.62797759e-05 7.79507969e-04] [-9.36439788e-07 8.74661130e-04 3.69457693e-04] [-6.55167766e-04 -1.62812233e-05 7.79509002e-04] [ 9.37836195e-04 -1.39385612e-04 -1.00090414e-03] [-3.14889964e-05 1.06106636e-04 8.49038894e-04] [ 3.14891250e-05 -1.06106087e-04 8.49037819e-04] [-9.37835612e-04 1.39385244e-04 -1.00090659e-03] [-2.13838475e-03 -8.19922158e-04 -3.43821154e-03] [ 2.13838241e-03 8.19921881e-04 -3.43821652e-03] [ 2.48837909e-03 3.56175691e-04 -1.11434515e-04] [-2.48837921e-03 -3.56175077e-04 -1.11439250e-04] [ 1.04189756e-03 1.19939179e-04 1.04666189e-03] [-1.04189798e-03 -1.19935287e-04 1.04665882e-03] [ 1.14937491e-03 3.29387047e-03 -2.55397295e-03] [-1.14937498e-03 -3.29387295e-03 -2.55397088e-03]] Final stress: [ 3.56902300e-03 3.56330995e-03 1.21578048e-02 -3.97237679e-12 -2.01548669e-12 2.74136703e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 77 steps. Final forces: [[-5.28756059e-03 1.83521765e-03 -3.83455160e-03] [ 5.28756250e-03 -1.83521551e-03 -3.83455220e-03] [-9.75500757e-04 4.26985672e-03 9.91940717e-04] [ 9.75499601e-04 -4.26985590e-03 9.91941517e-04] [-3.43512021e-03 -3.30558999e-03 -1.34078047e-03] [ 3.43511772e-03 3.30558674e-03 -1.34077822e-03] [ 2.08184076e-04 -8.73252796e-04 6.54867590e-03] [-2.08184034e-04 8.73254034e-04 6.54867798e-03] [-7.16568606e-03 -5.62318780e-04 -1.61578443e-03] [-3.42886110e-05 -4.33264089e-04 -6.84122681e-04] [ 7.16568724e-03 5.62318887e-04 -1.61578609e-03] [ 3.42868902e-05 4.33265655e-04 -6.84122744e-04] [ 2.01665569e-03 4.90968430e-03 4.30873075e-03] [-7.16962769e-04 2.49958213e-03 -1.24485060e-03] [ 7.16966549e-04 -2.49958483e-03 -1.24485359e-03] [-2.01665569e-03 -4.90968372e-03 4.30873074e-03] [ 9.95053326e-04 9.95160405e-04 -4.88765909e-03] [-9.95057356e-04 -9.95160100e-04 -4.88766219e-03] [ 1.95094417e-03 -3.05891164e-03 3.03051068e-03] [-1.95094143e-03 3.05891122e-03 3.03050855e-03] [-3.39992091e-03 4.54116790e-03 1.79473989e-03] [ 3.39992033e-03 -4.54117100e-03 1.79474105e-03] [-5.14772733e-03 -1.27113201e-03 -3.06684678e-03] [ 5.14772766e-03 1.27113472e-03 -3.06684709e-03]] Final stress: [ 3.56583581e-03 3.58273214e-03 1.21029250e-02 -2.16167379e-12 6.21931803e-13 -1.61911362e-05] Minimization converged after 28 steps. Minimization converged after 30 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 27 steps. Minimization converged after 31 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 30 steps. Minimization converged after 28 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 31 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-0.00803118 -0.00441284 -0.00212941] [ 0.00803118 0.00441284 -0.00212941] [ 0.00803118 -0.00441284 0.00212941] [-0.00803118 0.00441284 0.00212941] [-0.00436002 0.00859362 -0.00054882] [ 0.00436002 -0.00859362 -0.00054882] [ 0.00436002 0.00859362 0.00054882] [-0.00436002 -0.00859362 0.00054882] [-0.00361816 -0.01526269 -0.00296515] [-0.00361816 0.01526269 0.00296515] [ 0.00361816 0.01526269 -0.00296515] [ 0.00361816 -0.01526269 0.00296515] [ 0.00333532 0.00305686 -0.00199583] [-0.00333532 0.00305686 0.00199583] [ 0.00333532 -0.00305686 0.00199583] [-0.00333532 -0.00305686 -0.00199583] [ 0.00783935 0.00325482 -0.00582961] [-0.00783935 -0.00325482 -0.00582961] [-0.00783935 0.00325482 0.00582961] [ 0.00783935 -0.00325482 0.00582961] [ 0.00815535 -0.00119613 0.00148207] [-0.00815535 0.00119613 0.00148207] [-0.00815535 -0.00119613 -0.00148207] [ 0.00815535 0.00119613 -0.00148207]] Final stress: [-1.99045836e-04 1.38496890e-05 1.52733646e-05 -2.20759625e-17 4.28501657e-15 -7.67722563e-15] Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-2.39502127e-05 1.19294747e-05 -6.80774375e-05] [ 2.39502100e-05 -1.19294775e-05 -6.80774350e-05] [ 2.39502129e-05 1.19294750e-05 6.80774377e-05] [-2.39502123e-05 -1.19294752e-05 6.80774374e-05] [-1.35182294e-04 5.56023948e-04 3.50117804e-05] [ 1.35182293e-04 -5.56023949e-04 3.50117802e-05] [ 1.35182292e-04 5.56023950e-04 -3.50117788e-05] [-1.35182293e-04 -5.56023949e-04 -3.50117790e-05] [-1.19882920e-04 -2.89821754e-04 2.14799322e-04] [-1.19882917e-04 2.89821752e-04 -2.14799325e-04] [ 1.19882918e-04 2.89821753e-04 2.14799326e-04] [ 1.19882920e-04 -2.89821755e-04 -2.14799322e-04] [-1.28530797e-04 2.06117904e-04 -4.55143165e-04] [ 1.28530801e-04 2.06117902e-04 4.55143168e-04] [-1.28530802e-04 -2.06117901e-04 4.55143169e-04] [ 1.28530800e-04 -2.06117903e-04 -4.55143167e-04] [-1.38643070e-04 3.77002735e-04 -4.34013638e-04] [ 1.38643073e-04 -3.77002735e-04 -4.34013637e-04] [ 1.38643070e-04 3.77002737e-04 4.34013637e-04] [-1.38643073e-04 -3.77002737e-04 4.34013636e-04] [ 2.58452008e-04 -3.46145422e-05 -3.09662734e-04] [-2.58452009e-04 3.46145446e-05 -3.09662734e-04] [-2.58452008e-04 -3.46145440e-05 3.09662731e-04] [ 2.58452008e-04 3.46145461e-05 3.09662728e-04]] Final stress: [ 3.13316919e-05 3.12434836e-05 2.23621443e-05 -8.95526717e-16 -3.44440654e-15 1.77530593e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.97637758e-04 -6.93999889e-04 3.33775720e-04] [-3.97637758e-04 6.93999888e-04 3.33775721e-04] [-3.97637759e-04 -6.93999887e-04 -3.33775722e-04] [ 3.97637756e-04 6.93999890e-04 -3.33775719e-04] [-5.48985852e-04 1.17606189e-05 2.05968871e-04] [ 5.48985850e-04 -1.17606211e-05 2.05968874e-04] [ 5.48985847e-04 1.17606261e-05 -2.05968880e-04] [-5.48985849e-04 -1.17606242e-05 -2.05968875e-04] [-9.05054048e-05 2.70080294e-04 4.83894032e-04] [-9.05053987e-05 -2.70080301e-04 -4.83894045e-04] [ 9.05054039e-05 -2.70080295e-04 4.83894033e-04] [ 9.05054053e-05 2.70080294e-04 -4.83894031e-04] [-3.94392415e-04 -5.85951039e-05 3.49785586e-04] [ 3.94392413e-04 -5.85951028e-05 -3.49785587e-04] [-3.94392411e-04 5.85951019e-05 -3.49785589e-04] [ 3.94392415e-04 5.85951019e-05 3.49785586e-04] [ 1.57193330e-04 -3.03098562e-04 2.44028029e-04] [-1.57193330e-04 3.03098562e-04 2.44028025e-04] [-1.57193334e-04 -3.03098556e-04 -2.44028016e-04] [ 1.57193331e-04 3.03098560e-04 -2.44028026e-04] [ 2.77403645e-04 4.05550766e-04 -6.79008977e-04] [-2.77403645e-04 -4.05550761e-04 -6.79008967e-04] [-2.77403647e-04 4.05550762e-04 6.79008979e-04] [ 2.77403648e-04 -4.05550762e-04 6.79008976e-04]] Final stress: [ 1.02750108e-05 -1.19449016e-05 -2.67043745e-07 -1.09522898e-14 -4.70662264e-15 -1.03155432e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.00317615 0.00623938 -0.00282608] [ 0.00317615 -0.00623938 -0.00282608] [ 0.00317615 0.00623938 0.00282608] [-0.00317615 -0.00623938 0.00282608] [ 0.00570227 0.00136965 -0.00192457] [-0.00570227 -0.00136965 -0.00192457] [-0.00570227 0.00136965 0.00192457] [ 0.00570227 -0.00136965 0.00192457] [ 0.00163485 -0.00264307 -0.00524507] [ 0.00163485 0.00264307 0.00524507] [-0.00163485 0.00264307 -0.00524507] [-0.00163485 -0.00264307 0.00524507] [ 0.00443429 0.0005313 -0.0026063 ] [-0.00443429 0.0005313 0.0026063 ] [ 0.00443429 -0.0005313 0.0026063 ] [-0.00443429 -0.0005313 -0.0026063 ] [ 0.00018459 0.00213439 -0.00199986] [-0.00018459 -0.00213439 -0.00199986] [-0.00018459 0.00213439 0.00199986] [ 0.00018459 -0.00213439 0.00199986] [-0.00189872 -0.00366441 0.0057421 ] [ 0.00189872 0.00366441 0.0057421 ] [ 0.00189872 -0.00366441 -0.0057421 ] [-0.00189872 0.00366441 -0.0057421 ]] Final stress: [ 6.38418613e-05 -7.27786947e-05 -1.03145394e-06 1.71003690e-14 -5.43562028e-14 -1.45123803e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 7.56993104e-05 2.85195955e-05 1.10464327e-04] [-7.56993105e-05 -2.85195960e-05 1.10464327e-04] [-7.56993114e-05 2.85195972e-05 -1.10464328e-04] [ 7.56993093e-05 -2.85195952e-05 -1.10464326e-04] [ 1.56369127e-04 -6.62279051e-04 -7.17158451e-05] [-1.56369128e-04 6.62279048e-04 -7.17158442e-05] [-1.56369127e-04 -6.62279050e-04 7.17158438e-05] [ 1.56369125e-04 6.62279054e-04 7.17158490e-05] [ 1.82219860e-04 3.68548341e-04 -1.85313111e-04] [ 1.82219856e-04 -3.68548339e-04 1.85313114e-04] [-1.82219857e-04 -3.68548339e-04 -1.85313114e-04] [-1.82219856e-04 3.68548337e-04 1.85313117e-04] [ 1.87280305e-04 -2.43740347e-04 5.72083783e-04] [-1.87280305e-04 -2.43740347e-04 -5.72083783e-04] [ 1.87280309e-04 2.43740345e-04 -5.72083786e-04] [-1.87280309e-04 2.43740344e-04 5.72083786e-04] [ 1.25591564e-04 -5.16459814e-04 4.81388521e-04] [-1.25591567e-04 5.16459812e-04 4.81388515e-04] [-1.25591563e-04 -5.16459814e-04 -4.81388519e-04] [ 1.25591566e-04 5.16459817e-04 -4.81388521e-04] [-3.15819408e-04 2.31036439e-06 3.95624088e-04] [ 3.15819413e-04 -2.31036381e-06 3.95624095e-04] [ 3.15819410e-04 2.31036366e-06 -3.95624094e-04] [-3.15819412e-04 -2.31036413e-06 -3.95624095e-04]] Final stress: [-2.95075898e-05 -2.96165280e-05 -2.43300313e-05 -7.75947769e-15 8.21654991e-15 -2.71003465e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.30243611e-05 -6.79387694e-05 -2.31485877e-05] [-1.30243625e-05 6.79387682e-05 -2.31485860e-05] [-1.30243623e-05 -6.79387681e-05 2.31485861e-05] [ 1.30243617e-05 6.79387691e-05 2.31485872e-05] [-2.88081916e-04 2.14089550e-04 -1.19634984e-04] [ 2.88081914e-04 -2.14089553e-04 -1.19634979e-04] [ 2.88081913e-04 2.14089554e-04 1.19634979e-04] [-2.88081915e-04 -2.14089551e-04 1.19634982e-04] [ 2.06324886e-04 -4.53291991e-04 -1.28817636e-04] [ 2.06324885e-04 4.53291993e-04 1.28817638e-04] [-2.06324883e-04 4.53291996e-04 -1.28817643e-04] [-2.06324882e-04 -4.53291996e-04 1.28817643e-04] [ 5.55122579e-04 3.41421182e-05 -1.34535281e-04] [-5.55122576e-04 3.41421183e-05 1.34535283e-04] [ 5.55122578e-04 -3.41421174e-05 1.34535281e-04] [-5.55122576e-04 -3.41421171e-05 -1.34535283e-04] [ 3.75915957e-04 -4.32574436e-04 -1.38168367e-04] [-3.75915959e-04 4.32574433e-04 -1.38168374e-04] [-3.75915958e-04 -4.32574433e-04 1.38168374e-04] [ 3.75915955e-04 4.32574435e-04 1.38168365e-04] [-3.47187307e-05 -3.09445760e-04 2.57142031e-04] [ 3.47187313e-05 3.09445761e-04 2.57142032e-04] [ 3.47187309e-05 -3.09445763e-04 -2.57142034e-04] [-3.47187303e-05 3.09445760e-04 -2.57142030e-04]] Final stress: [ 3.12518318e-05 2.23381298e-05 3.13399549e-05 -7.44370831e-15 -2.32781303e-15 4.32590792e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.00665303 -0.00334159 -0.00305706] [-0.00665303 0.00334159 -0.00305706] [-0.00665303 -0.00334159 0.00305706] [ 0.00665303 0.00334159 0.00305706] [-0.00245532 -0.00555277 0.00116367] [ 0.00245532 0.00555277 0.00116367] [ 0.00245532 -0.00555277 -0.00116367] [-0.00245532 0.00555277 -0.00116367] [ 0.00075493 -0.00363842 0.00456685] [ 0.00075493 0.00363842 -0.00456685] [-0.00075493 0.00363842 0.00456685] [-0.00075493 -0.00363842 -0.00456685] [ 0.00151385 -0.00168042 0.00658173] [-0.00151385 -0.00168042 -0.00658173] [ 0.00151385 0.00168042 -0.00658173] [-0.00151385 0.00168042 0.00658173] [ 0.00322041 -0.0019598 -0.00092599] [-0.00322041 0.0019598 -0.00092599] [-0.00322041 -0.0019598 0.00092599] [ 0.00322041 0.0019598 0.00092599] [-0.00418007 0.0077591 -0.00342061] [ 0.00418007 -0.0077591 -0.00342061] [ 0.00418007 0.0077591 0.00342061] [-0.00418007 -0.0077591 0.00342061]] Final stress: [-8.43466898e-05 -6.90304167e-07 7.60081805e-05 1.60838752e-15 -4.99502110e-14 1.68222641e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-6.94174197e-04 3.33937474e-04 3.97620907e-04] [ 6.94174197e-04 -3.33937475e-04 3.97620909e-04] [ 6.94174193e-04 3.33937479e-04 -3.97620912e-04] [-6.94174197e-04 -3.33937475e-04 -3.97620908e-04] [ 2.69999006e-04 4.83953152e-04 -9.05708696e-05] [-2.69999013e-04 -4.83953163e-04 -9.05708611e-05] [-2.69999002e-04 4.83953145e-04 9.05708718e-05] [ 2.69999000e-04 -4.83953143e-04 9.05708768e-05] [-5.85476051e-05 3.50250040e-04 -3.94285900e-04] [-5.85476034e-05 -3.50250038e-04 3.94285903e-04] [ 5.85476086e-05 -3.50250036e-04 -3.94285907e-04] [ 5.85476103e-05 3.50250029e-04 3.94285916e-04] [ 1.15859123e-05 2.05917276e-04 -5.49374204e-04] [-1.15859106e-05 2.05917282e-04 5.49374205e-04] [ 1.15859171e-05 -2.05917286e-04 5.49374200e-04] [-1.15859146e-05 -2.05917281e-04 -5.49374203e-04] [-3.03291151e-04 2.44215065e-04 1.57168545e-04] [ 3.03291146e-04 -2.44215064e-04 1.57168534e-04] [ 3.03291146e-04 2.44215056e-04 -1.57168540e-04] [-3.03291146e-04 -2.44215046e-04 -1.57168555e-04] [ 4.05799694e-04 -6.79814840e-04 2.77941187e-04] [-4.05799693e-04 6.79814847e-04 2.77941197e-04] [-4.05799686e-04 -6.79814835e-04 -2.77941198e-04] [ 4.05799687e-04 6.79814838e-04 -2.77941196e-04]] Final stress: [-1.19403696e-05 -2.67621319e-07 1.02698018e-05 -1.98605921e-14 -3.90263286e-15 -1.54572432e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 2.83357058e-05 1.10150738e-04 7.53744107e-05] [-2.83357054e-05 -1.10150737e-04 7.53744104e-05] [-2.83357069e-05 1.10150739e-04 -7.53744114e-05] [ 2.83357067e-05 -1.10150739e-04 -7.53744114e-05] [ 3.68160186e-04 -1.85033702e-04 1.81934238e-04] [-3.68160184e-04 1.85033706e-04 1.81934236e-04] [-3.68160182e-04 -1.85033709e-04 -1.81934233e-04] [ 3.68160182e-04 1.85033709e-04 -1.81934235e-04] [-2.43397834e-04 5.71104082e-04 1.87060034e-04] [-2.43397831e-04 -5.71104083e-04 -1.87060035e-04] [ 2.43397835e-04 -5.71104082e-04 1.87060034e-04] [ 2.43397834e-04 5.71104082e-04 -1.87060033e-04] [-6.61535288e-04 -7.17173064e-05 1.55828311e-04] [ 6.61535288e-04 -7.17173036e-05 -1.55828312e-04] [-6.61535289e-04 7.17173048e-05 -1.55828310e-04] [ 6.61535288e-04 7.17173049e-05 1.55828311e-04] [-5.16124432e-04 4.79897518e-04 1.24802399e-04] [ 5.16124432e-04 -4.79897519e-04 1.24802402e-04] [ 5.16124429e-04 4.79897515e-04 -1.24802402e-04] [-5.16124431e-04 -4.79897514e-04 -1.24802402e-04] [ 2.81831767e-06 3.95723940e-04 -3.14603371e-04] [-2.81831907e-06 -3.95723939e-04 -3.14603371e-04] [-2.81831474e-06 3.95723941e-04 3.14603371e-04] [ 2.81831365e-06 -3.95723943e-04 3.14603372e-04]] Final stress: [-2.96181594e-05 -2.43101567e-05 -2.95093954e-05 -2.82905810e-17 -3.70344032e-15 -6.33174662e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.81648286e-03 -3.73341059e-04 -4.76309882e-04] [-1.70289154e-03 4.71596747e-03 -1.43583542e-03] [-1.70289153e-03 -4.71596747e-03 1.43583542e-03] [ 1.81648286e-03 3.73341062e-04 4.76309884e-04] [-1.49950182e-03 -1.17480777e-04 1.34448744e-04] [-5.15321324e-04 -2.10734791e-03 -1.00174084e-03] [-5.15321332e-04 2.10734793e-03 1.00174082e-03] [-1.49950181e-03 1.17480770e-04 -1.34448748e-04] [-1.31983302e-03 2.08713183e-03 2.13606457e-03] [-1.31983303e-03 -2.08713183e-03 -2.13606457e-03] [-1.67439507e-03 1.36295378e-03 -2.27582344e-04] [-1.67439506e-03 -1.36295379e-03 2.27582346e-04] [-4.28246762e-06 -7.64735843e-04 1.56957330e-03] [ 2.54038816e-03 -7.63703553e-04 -4.17690338e-03] [-4.28247162e-06 7.64735848e-04 -1.56957330e-03] [ 2.54038816e-03 7.63703550e-04 4.17690338e-03] [-9.25399599e-04 1.18651789e-03 -2.14965831e-03] [ 4.37086462e-04 3.34875340e-03 -1.22586302e-03] [ 4.37086462e-04 -3.34875339e-03 1.22586302e-03] [-9.25399607e-04 -1.18651790e-03 2.14965832e-03] [ 1.59739991e-03 -1.67750869e-04 -8.50073108e-04] [ 1.25026745e-03 -6.17171098e-04 1.39712615e-03] [ 1.25026744e-03 6.17171094e-04 -1.39712615e-03] [ 1.59739992e-03 1.67750875e-04 8.50073106e-04]] Final stress: [-1.74026260e-05 6.27442901e-05 6.00005319e-05 -9.78794531e-05 3.33916593e-16 1.41091239e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 2.62521301e-03 -6.68966314e-03 -2.09716547e-03] [-2.59032050e-03 -3.71274606e-04 1.41521667e-04] [-2.59032050e-03 3.71274606e-04 -1.41521667e-04] [ 2.62521302e-03 6.68966314e-03 2.09716546e-03] [-5.28429818e-05 1.81902393e-03 -9.68548374e-05] [ 2.11512054e-03 -1.95142989e-04 1.67593373e-03] [ 2.11512054e-03 1.95142991e-04 -1.67593373e-03] [-5.28429819e-05 -1.81902393e-03 9.68548358e-05] [ 2.31812745e-03 -3.89316230e-03 -2.24858528e-03] [ 2.31812745e-03 3.89316230e-03 2.24858527e-03] [ 1.02966507e-03 -1.97314068e-03 1.16816828e-03] [ 1.02966507e-03 1.97314067e-03 -1.16816828e-03] [-4.04501886e-03 1.02485259e-04 5.71030464e-03] [-1.69566612e-04 1.06326811e-03 -2.48971235e-03] [-4.04501887e-03 -1.02485263e-04 -5.71030463e-03] [-1.69566614e-04 -1.06326811e-03 2.48971234e-03] [-2.00267873e-04 -5.17128571e-03 -5.70508571e-04] [ 3.50392459e-03 -1.38923918e-03 -3.57092520e-03] [ 3.50392460e-03 1.38923918e-03 3.57092520e-03] [-2.00267872e-04 5.17128572e-03 5.70508569e-04] [-1.18869593e-03 3.98128083e-04 1.75330690e-03] [-3.34533790e-03 -1.58396486e-03 -1.33518944e-03] [-3.34533790e-03 1.58396486e-03 1.33518944e-03] [-1.18869593e-03 -3.98128084e-04 -1.75330690e-03]] Final stress: [ 8.78883143e-06 1.53934925e-04 1.47333817e-04 1.48306864e-04 -8.14919100e-15 1.01852484e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-0.00411068 0.0073212 0.00177486] [ 0.00276449 0.00023025 0.00021122] [ 0.00276449 -0.00023025 -0.00021122] [-0.00411068 -0.0073212 -0.00177486] [ 0.0015824 -0.00266914 0.00258892] [-0.00071665 0.00201682 -0.00066511] [-0.00071665 -0.00201682 0.00066511] [ 0.0015824 0.00266914 -0.00258892] [-0.00124416 0.00384313 0.0014377 ] [-0.00124416 -0.00384313 -0.0014377 ] [-0.00216974 0.00301086 -0.00308266] [-0.00216974 -0.00301086 0.00308266] [ 0.00296227 0.00086834 -0.00668482] [ 0.00058761 0.00221435 0.00234496] [ 0.00296227 -0.00086834 0.00668482] [ 0.00058761 -0.00221435 -0.00234496] [-0.00027007 0.0051673 0.0011647 ] [-0.00091644 0.00276033 0.00321288] [-0.00091644 -0.00276033 -0.00321288] [-0.00027007 -0.0051673 -0.0011647 ] [ 0.00085612 0.00094069 -0.00126198] [ 0.00067485 -0.00063796 0.00335343] [ 0.00067485 0.00063796 -0.00335343] [ 0.00085612 -0.00094069 0.00126198]] Final stress: [ 1.18196583e-04 -5.68801414e-05 -6.59444912e-05 -2.26835670e-04 1.57679139e-15 1.04581977e-14] Minimization converged after 97 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 4.23460718e-06 -4.50957520e-03 -4.83539858e-03] [-6.73298800e-03 5.07584902e-03 3.49907779e-03] [-4.23460894e-06 -4.50957520e-03 4.83539858e-03] [ 6.73298800e-03 5.07584902e-03 -3.49907780e-03] [ 1.50278905e-03 -2.30098928e-03 -1.78195867e-03] [ 3.44146235e-03 -3.76030802e-03 1.46472804e-03] [-1.50278905e-03 -2.30098928e-03 1.78195867e-03] [-3.44146235e-03 -3.76030803e-03 -1.46472804e-03] [-3.95833226e-03 1.39529693e-03 1.63816481e-03] [ 1.31870510e-03 1.17228515e-03 -3.46189956e-03] [-1.31870509e-03 1.17228516e-03 3.46189956e-03] [ 3.95833226e-03 1.39529694e-03 -1.63816482e-03] [-3.19860541e-03 -1.43390646e-04 2.71402383e-03] [ 3.19860541e-03 -1.43390643e-04 -2.71402383e-03] [ 1.92913732e-04 3.89498807e-03 -1.10879883e-02] [-1.92913725e-04 3.89498807e-03 1.10879883e-02] [ 1.40305984e-03 -1.19733631e-03 -6.26736497e-03] [ 5.17117811e-03 4.97738008e-03 1.86295017e-03] [-1.40305985e-03 -1.19733631e-03 6.26736497e-03] [-5.17117812e-03 4.97738008e-03 -1.86295017e-03] [ 2.48364990e-03 3.65989899e-05 -1.35302499e-03] [ 1.30630371e-03 -4.64079880e-03 -5.95507501e-04] [-2.48364990e-03 3.65989909e-05 1.35302499e-03] [-1.30630371e-03 -4.64079880e-03 5.95507505e-04]] Final stress: [-9.29118933e-05 8.68238417e-05 8.15249255e-05 9.72435729e-15 1.74040598e-04 -7.34895794e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.09640077e-03 3.10381689e-03 3.75358243e-03] [ 2.47835250e-03 -2.73167254e-03 -1.37183991e-03] [ 1.09640077e-03 3.10381689e-03 -3.75358243e-03] [-2.47835250e-03 -2.73167254e-03 1.37183991e-03] [-1.13649820e-04 -3.99179291e-04 6.79122674e-04] [-1.79308091e-03 2.86626703e-03 8.64425044e-04] [ 1.13649820e-04 -3.99179292e-04 -6.79122677e-04] [ 1.79308090e-03 2.86626704e-03 -8.64425033e-04] [-1.03057751e-04 -7.16669406e-04 -1.57713562e-03] [ 5.88429546e-04 -1.01680871e-03 9.86270858e-05] [-5.88429545e-04 -1.01680870e-03 -9.86270905e-05] [ 1.03057753e-04 -7.16669411e-04 1.57713563e-03] [ 1.63252352e-03 -1.88934016e-03 -1.78233853e-03] [-1.63252352e-03 -1.88934016e-03 1.78233853e-03] [ 3.68485410e-04 -3.95439384e-03 4.83886309e-03] [-3.68485406e-04 -3.95439384e-03 -4.83886310e-03] [ 6.84036324e-04 1.27017331e-03 4.78354393e-03] [-5.52564942e-04 -7.08645221e-04 -9.83983504e-04] [-6.84036325e-04 1.27017331e-03 -4.78354392e-03] [ 5.52564945e-04 -7.08645215e-04 9.83983491e-04] [-1.33513100e-03 2.13855581e-03 2.84814074e-04] [-1.06760614e-03 2.03789613e-03 1.21301145e-04] [ 1.33513100e-03 2.13855581e-03 -2.84814082e-04] [ 1.06760614e-03 2.03789612e-03 -1.21301139e-04]] Final stress: [ 4.97600755e-05 -5.06810985e-05 -5.27826200e-05 -2.03142090e-14 -1.22724301e-04 -2.56557829e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-2.48369352e-03 2.72159073e-03 -1.37604583e-03] [ 1.10422197e-03 -3.10247627e-03 3.75457801e-03] [ 2.48369352e-03 2.72159072e-03 1.37604584e-03] [-1.10422197e-03 -3.10247626e-03 -3.75457801e-03] [ 1.79762811e-03 -2.86368932e-03 8.88913663e-04] [ 1.22781944e-04 4.20907965e-04 6.37806251e-04] [-1.79762812e-03 -2.86368930e-03 -8.88913675e-04] [-1.22781935e-04 4.20907954e-04 -6.37806259e-04] [ 6.24397089e-04 1.05264493e-03 -4.21033709e-05] [-1.09667969e-04 7.13946462e-04 1.56342402e-03] [ 1.09667954e-04 7.13946456e-04 -1.56342401e-03] [-6.24397089e-04 1.05264494e-03 4.21033610e-05] [ 3.12131874e-04 3.92748286e-03 -4.87618394e-03] [-3.12131877e-04 3.92748286e-03 4.87618394e-03] [ 1.64524962e-03 1.88941217e-03 1.77744217e-03] [-1.64524962e-03 1.88941218e-03 -1.77744217e-03] [ 5.64505902e-04 7.05296265e-04 -9.70723696e-04] [-7.42954240e-04 -1.29406892e-03 4.71240189e-03] [-5.64505888e-04 7.05296273e-04 9.70723693e-04] [ 7.42954240e-04 -1.29406894e-03 -4.71240189e-03] [ 1.09844111e-03 -2.04938058e-03 1.43754953e-04] [ 1.37233058e-03 -2.12166631e-03 3.17021715e-04] [-1.09844113e-03 -2.04938058e-03 -1.43754946e-04] [-1.37233056e-03 -2.12166629e-03 -3.17021715e-04]] Final stress: [ 4.98126491e-05 -5.10383653e-05 -5.31398085e-05 2.78795672e-15 1.23043596e-04 3.39216906e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 4.60544926e-03 -1.36471817e-03 -4.94815389e-04] [-4.60544926e-03 1.36471818e-03 -4.94815390e-04] [ 6.64297606e-04 -3.04569805e-03 8.38116698e-04] [-6.64297605e-04 3.04569805e-03 8.38116697e-04] [ 9.28315051e-04 1.96862205e-03 -1.47415163e-03] [-9.28315055e-04 -1.96862205e-03 -1.47415163e-03] [ 2.75202780e-03 -1.28384869e-04 -1.60891713e-03] [-2.75202779e-03 1.28384868e-04 -1.60891713e-03] [ 3.41746113e-04 -1.46821266e-03 1.35873417e-03] [ 5.82820055e-04 -1.08241343e-03 6.42352243e-04] [-3.41746111e-04 1.46821266e-03 1.35873417e-03] [-5.82820062e-04 1.08241344e-03 6.42352238e-04] [-2.58897357e-03 2.43310011e-04 1.85672150e-03] [ 2.59290489e-04 -3.69233768e-04 -3.07526964e-03] [-2.59290481e-04 3.69233763e-04 -3.07526965e-03] [ 2.58897356e-03 -2.43310010e-04 1.85672151e-03] [ 1.46362110e-03 -1.51971924e-03 -2.31665474e-03] [-1.46362111e-03 1.51971925e-03 -2.31665474e-03] [ 2.74905043e-03 -4.63947543e-04 1.68020801e-03] [-2.74905043e-03 4.63947546e-04 1.68020801e-03] [-7.17897185e-05 -1.48287080e-03 1.81819711e-03] [ 7.17897225e-05 1.48287079e-03 1.81819711e-03] [-1.11931260e-03 1.59119648e-03 7.75478803e-04] [ 1.11931259e-03 -1.59119648e-03 7.75478795e-04]] Final stress: [-5.15799289e-06 8.44524366e-05 8.52006492e-05 7.89136255e-15 2.36971007e-15 -1.16524444e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-9.69988514e-04 -3.52963212e-03 -8.71056003e-04] [ 9.69988514e-04 3.52963212e-03 -8.71056004e-04] [-5.59436234e-03 -1.38294159e-03 4.80614318e-04] [ 5.59436235e-03 1.38294158e-03 4.80614309e-04] [-3.23123725e-03 9.05811439e-06 1.30426419e-03] [ 3.23123725e-03 -9.05812070e-06 1.30426419e-03] [-1.04243755e-03 2.62493767e-03 1.35461711e-03] [ 1.04243755e-03 -2.62493767e-03 1.35461711e-03] [ 4.42892618e-04 1.31401137e-03 -4.13201052e-04] [ 1.37709447e-05 2.12301319e-03 -1.19558918e-03] [-4.42892629e-04 -1.31401138e-03 -4.13201043e-04] [-1.37709535e-05 -2.12301318e-03 -1.19558920e-03] [ 2.11443997e-04 -4.08785913e-04 3.69899220e-03] [ 2.89030283e-03 1.87352204e-04 -2.30406609e-03] [-2.89030284e-03 -1.87352203e-04 -2.30406609e-03] [-2.11443985e-04 4.08785927e-04 3.69899219e-03] [-2.96878764e-03 -1.84261577e-04 -1.54717929e-03] [ 2.96878765e-03 1.84261575e-04 -1.54717928e-03] [-1.41892259e-03 -1.79600897e-03 2.46622063e-03] [ 1.41892259e-03 1.79600897e-03 2.46622063e-03] [ 1.81928810e-03 1.96083603e-03 -1.11419889e-03] [-1.81928810e-03 -1.96083604e-03 -1.11419891e-03] [ 6.98768568e-04 -1.88840007e-03 -1.85941793e-03] [-6.98768563e-04 1.88840008e-03 -1.85941792e-03]] Final stress: [-2.53870410e-05 8.50910193e-05 8.60223005e-05 9.48207951e-15 -4.14653816e-15 1.45073949e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 4.09178681e-04 3.00902417e-03 6.44512643e-04] [-4.09178677e-04 -3.00902417e-03 6.44512639e-04] [ 4.13182197e-03 1.96681270e-03 -9.07125581e-04] [-4.13182198e-03 -1.96681270e-03 -9.07125576e-04] [ 2.62809348e-03 4.66364122e-05 -1.32130808e-03] [-2.62809348e-03 -4.66364129e-05 -1.32130808e-03] [ 1.41819173e-03 -2.55972197e-03 -2.14963118e-03] [-1.41819173e-03 2.55972197e-03 -2.14963118e-03] [-5.79923880e-05 -9.59893708e-04 5.37739021e-04] [-3.01031929e-06 -1.26455059e-03 2.08813886e-03] [ 5.79923874e-05 9.59893705e-04 5.37739024e-04] [ 3.01031752e-06 1.26455059e-03 2.08813886e-03] [ 4.97353285e-05 1.20547357e-03 -3.82101734e-03] [-2.16411373e-03 6.22143617e-04 1.92252701e-03] [ 2.16411374e-03 -6.22143625e-04 1.92252700e-03] [-4.97353442e-05 -1.20547359e-03 -3.82101733e-03] [ 2.73769944e-03 5.42651141e-04 1.35686656e-03] [-2.73769944e-03 -5.42651134e-04 1.35686655e-03] [ 1.40574990e-03 1.57472347e-03 -1.90435600e-03] [-1.40574989e-03 -1.57472346e-03 -1.90435600e-03] [ 1.72549646e-04 -1.13701299e-03 1.91433760e-03] [-1.72549641e-04 1.13701300e-03 1.91433761e-03] [ 1.42322587e-04 1.37153480e-03 1.63931649e-03] [-1.42322589e-04 -1.37153480e-03 1.63931648e-03]] Final stress: [ 3.32593510e-05 -5.66837519e-05 -5.58583554e-05 2.12205013e-15 1.49510899e-14 -1.04350356e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-4.01305376e-03 2.01583876e-03 9.65312429e-04] [ 4.01305376e-03 -2.01583876e-03 9.65312430e-04] [-4.05468942e-04 3.05170817e-03 -6.56755023e-04] [ 4.05468938e-04 -3.05170817e-03 -6.56755019e-04] [-1.37975404e-03 -2.50088503e-03 2.30872143e-03] [ 1.37975404e-03 2.50088503e-03 2.30872144e-03] [-2.59082979e-03 1.34321675e-05 1.41979764e-03] [ 2.59082979e-03 -1.34321686e-05 1.41979765e-03] [ 3.39327446e-06 1.21071659e-03 -2.12662718e-03] [-3.26846342e-05 9.33810723e-04 -4.97816314e-04] [-3.39326208e-06 -1.21071658e-03 -2.12662720e-03] [ 3.26846364e-05 -9.33810730e-04 -4.97816304e-04] [ 2.08448233e-03 7.17362159e-04 -1.91150043e-03] [-9.49094803e-05 1.17870856e-03 3.87416751e-03] [ 9.49094899e-05 -1.17870856e-03 3.87416750e-03] [-2.08448233e-03 -7.17362166e-04 -1.91150043e-03] [-1.44240314e-03 1.53400745e-03 1.81172377e-03] [ 1.44240313e-03 -1.53400746e-03 1.81172376e-03] [-2.79672058e-03 6.39370338e-04 -1.46031465e-03] [ 2.79672058e-03 -6.39370331e-04 -1.46031465e-03] [-2.12651689e-04 1.28848155e-03 -1.72165129e-03] [ 2.12651690e-04 -1.28848154e-03 -1.72165128e-03] [-1.93253249e-04 -1.20295423e-03 -2.00505790e-03] [ 1.93253242e-04 1.20295422e-03 -2.00505790e-03]] Final stress: [ 3.31243358e-05 -5.56939285e-05 -5.48919811e-05 -1.96987782e-14 1.40995404e-14 1.02747293e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-0.00212858 -0.00802916 -0.00441152] [ 0.00212858 0.00802916 -0.00441152] [ 0.00212858 -0.00802916 0.00441152] [-0.00212858 0.00802916 0.00441152] [-0.00199611 0.0033343 0.00305687] [ 0.00199611 -0.0033343 0.00305687] [ 0.00199611 0.0033343 -0.00305687] [-0.00199611 -0.0033343 -0.00305687] [-0.00054848 -0.00436001 0.00859222] [-0.00054848 0.00436001 -0.00859222] [ 0.00054848 0.00436001 0.00859222] [ 0.00054848 -0.00436001 -0.00859222] [-0.00296541 -0.00361653 -0.01526092] [ 0.00296541 -0.00361653 0.01526092] [-0.00296541 0.00361653 0.01526092] [ 0.00296541 0.00361653 -0.01526092] [-0.00582825 0.00783802 0.00325471] [ 0.00582825 -0.00783802 0.00325471] [ 0.00582825 0.00783802 -0.00325471] [-0.00582825 -0.00783802 -0.00325471] [ 0.0014821 0.00815416 -0.00119589] [-0.0014821 -0.00815416 -0.00119589] [-0.0014821 0.00815416 0.00119589] [ 0.0014821 -0.00815416 0.00119589]] Final stress: [ 1.52851045e-05 -1.98991827e-04 1.38619481e-05 -1.45078552e-14 3.25893374e-15 -2.94955932e-15] Minimization converged after 53 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-6.80165783e-05 -2.38890101e-05 1.19799088e-05] [ 6.80165788e-05 2.38890106e-05 1.19799082e-05] [ 6.80165778e-05 -2.38890094e-05 -1.19799095e-05] [-6.80165777e-05 2.38890092e-05 -1.19799099e-05] [-4.55061274e-04 -1.28496859e-04 2.06074319e-04] [ 4.55061276e-04 1.28496861e-04 2.06074316e-04] [ 4.55061275e-04 -1.28496861e-04 -2.06074318e-04] [-4.55061276e-04 1.28496863e-04 -2.06074317e-04] [ 3.50185008e-05 -1.35154372e-04 5.55938439e-04] [ 3.50185023e-05 1.35154370e-04 -5.55938442e-04] [-3.50185035e-05 1.35154370e-04 5.55938442e-04] [-3.50185023e-05 -1.35154370e-04 -5.55938443e-04] [ 2.14787846e-04 -1.19858843e-04 -2.89771654e-04] [-2.14787847e-04 -1.19858843e-04 2.89771652e-04] [ 2.14787847e-04 1.19858842e-04 2.89771653e-04] [-2.14787845e-04 1.19858843e-04 -2.89771654e-04] [-4.33961010e-04 -1.38645627e-04 3.76926276e-04] [ 4.33961013e-04 1.38645626e-04 3.76926277e-04] [ 4.33961011e-04 -1.38645629e-04 -3.76926276e-04] [-4.33961012e-04 1.38645627e-04 -3.76926273e-04] [-3.09647109e-04 2.58386918e-04 -3.46722258e-05] [ 3.09647108e-04 -2.58386919e-04 -3.46722261e-05] [ 3.09647109e-04 2.58386921e-04 3.46722294e-05] [-3.09647108e-04 -2.58386920e-04 3.46722278e-05]] Final stress: [ 2.23609282e-05 3.13324080e-05 3.12442122e-05 1.42921713e-15 2.17074966e-15 -3.85237123e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.33924369e-04 3.97737051e-04 -6.94275193e-04] [-3.33924371e-04 -3.97737052e-04 -6.94275192e-04] [-3.33924367e-04 3.97737050e-04 6.94275195e-04] [ 3.33924372e-04 -3.97737054e-04 6.94275190e-04] [ 3.50120279e-04 -3.94387002e-04 -5.84625423e-05] [-3.50120277e-04 3.94387003e-04 -5.84625411e-05] [-3.50120280e-04 -3.94387001e-04 5.84625401e-05] [ 3.50120275e-04 3.94387009e-04 5.84625409e-05] [ 2.06069377e-04 -5.49347599e-04 1.15793455e-05] [ 2.06069380e-04 5.49347598e-04 -1.15793464e-05] [-2.06069390e-04 5.49347591e-04 1.15793558e-05] [-2.06069381e-04 -5.49347595e-04 -1.15793517e-05] [ 4.84081883e-04 -9.08024426e-05 2.70108225e-04] [-4.84081896e-04 -9.08024363e-05 -2.70108233e-04] [ 4.84081881e-04 9.08024414e-05 -2.70108224e-04] [-4.84081872e-04 9.08024521e-05 2.70108219e-04] [ 2.44298781e-04 1.56942847e-04 -3.03154280e-04] [-2.44298761e-04 -1.56942851e-04 -3.03154273e-04] [-2.44298778e-04 1.56942838e-04 3.03154278e-04] [ 2.44298769e-04 -1.56942845e-04 3.03154280e-04] [-6.79539600e-04 2.77670754e-04 4.05811255e-04] [ 6.79539598e-04 -2.77670764e-04 4.05811246e-04] [ 6.79539596e-04 2.77670765e-04 -4.05811248e-04] [-6.79539586e-04 -2.77670760e-04 -4.05811245e-04]] Final stress: [-2.67649525e-07 1.02686704e-05 -1.19394979e-05 6.82962324e-15 -1.77250480e-14 -1.16196547e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.00210674 -0.00131307 0.00356828] [ 0.00210674 0.00131307 0.00356828] [ 0.00210674 -0.00131307 -0.00356828] [-0.00210674 0.00131307 -0.00356828] [-0.00287544 0.00217663 0.00072551] [ 0.00287544 -0.00217663 0.00072551] [ 0.00287544 0.00217663 -0.00072551] [-0.00287544 -0.00217663 -0.00072551] [-0.00029018 0.00404451 0.0007881 ] [-0.00029018 -0.00404451 -0.0007881 ] [ 0.00029018 -0.00404451 0.0007881 ] [ 0.00029018 0.00404451 -0.0007881 ] [-0.00266115 -0.00030081 -0.00087414] [ 0.00266115 -0.00030081 0.00087414] [-0.00266115 0.00030081 0.00087414] [ 0.00266115 0.00030081 -0.00087414] [-0.00062045 -0.00186627 0.00284172] [ 0.00062045 0.00186627 0.00284172] [ 0.00062045 -0.00186627 -0.00284172] [-0.00062045 0.00186627 -0.00284172] [ 0.00589016 -0.00352532 -0.00238917] [-0.00589016 0.00352532 -0.00238917] [-0.00589016 -0.00352532 0.00238917] [ 0.00589016 0.00352532 0.00238917]] Final stress: [-1.45567136e-06 3.68980549e-05 -4.34715943e-05 1.06418780e-14 -3.23149053e-14 -2.53363101e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.09952434e-04 7.42943927e-05 2.68794518e-05] [-1.09952433e-04 -7.42943918e-05 2.68794509e-05] [-1.09952431e-04 7.42943906e-05 -2.68794497e-05] [ 1.09952432e-04 -7.42943910e-05 -2.68794504e-05] [ 5.68734646e-04 1.87325850e-04 -2.43718114e-04] [-5.68734648e-04 -1.87325853e-04 -2.43718113e-04] [-5.68734649e-04 1.87325855e-04 2.43718111e-04] [ 5.68734648e-04 -1.87325853e-04 2.43718113e-04] [-7.04014098e-05 1.55095747e-04 -6.60467614e-04] [-7.04014108e-05 -1.55095747e-04 6.60467614e-04] [ 7.04014072e-05 -1.55095749e-04 -6.60467611e-04] [ 7.04014111e-05 1.55095748e-04 6.60467614e-04] [-1.84370672e-04 1.81570467e-04 3.65965889e-04] [ 1.84370669e-04 1.81570468e-04 -3.65965891e-04] [-1.84370668e-04 -1.81570471e-04 -3.65965892e-04] [ 1.84370669e-04 -1.81570470e-04 3.65965892e-04] [ 4.78171611e-04 1.24381353e-04 -5.14575128e-04] [-4.78171610e-04 -1.24381350e-04 -5.14575127e-04] [-4.78171610e-04 1.24381354e-04 5.14575127e-04] [ 4.78171610e-04 -1.24381350e-04 5.14575128e-04] [ 3.95437792e-04 -3.12895415e-04 3.08921176e-06] [-3.95437789e-04 3.12895413e-04 3.08921331e-06] [-3.95437794e-04 -3.12895413e-04 -3.08921236e-06] [ 3.95437796e-04 3.12895417e-04 -3.08921399e-06]] Final stress: [-2.42768496e-05 -2.95205980e-05 -2.96292538e-05 3.85029972e-15 -3.71683754e-15 2.42507480e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-6.25538210e-04 4.20464820e-03 -1.36457537e-03] [ 6.25310061e-04 5.88170942e-04 -3.02019812e-03] [ 6.25310055e-04 -5.88170938e-04 3.02019811e-03] [-6.25538216e-04 -4.20464820e-03 1.36457537e-03] [ 1.95499289e-03 -2.11450013e-03 1.07073357e-04] [-3.16307048e-03 2.72493671e-04 -6.14925971e-04] [-3.16307048e-03 -2.72493671e-04 6.14925965e-04] [ 1.95499289e-03 2.11450013e-03 -1.07073352e-04] [-1.38056561e-03 1.05103086e-03 2.08472643e-03] [-1.38056561e-03 -1.05103086e-03 -2.08472643e-03] [-1.28257660e-03 2.73980243e-03 -2.01736041e-04] [-1.28257660e-03 -2.73980243e-03 2.01736040e-04] [ 1.43713662e-03 2.81633429e-04 -1.47884600e-03] [ 4.47311650e-04 7.47411863e-05 -9.97270504e-04] [ 1.43713664e-03 -2.81633438e-04 1.47884599e-03] [ 4.47311628e-04 -7.47411985e-05 9.97270517e-04] [-2.19891890e-03 1.57782881e-03 -1.51980764e-03] [ 1.41393174e-03 2.70464684e-03 -4.37891950e-04] [ 1.41393175e-03 -2.70464683e-03 4.37891943e-04] [-2.19891888e-03 -1.57782880e-03 1.51980765e-03] [ 1.67356047e-03 7.93651222e-05 -1.33727164e-03] [ 1.09842638e-03 -8.81065596e-04 1.68868781e-03] [ 1.09842637e-03 8.81065593e-04 -1.68868779e-03] [ 1.67356046e-03 -7.93651212e-05 1.33727162e-03]] Final stress: [ 7.20581178e-05 -1.43747682e-05 7.12741755e-05 -1.07133071e-04 2.23854176e-14 3.91335455e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-8.34169813e-04 -6.57428544e-04 -3.03440983e-03] [ 4.96387158e-04 -4.58343424e-03 -1.36399066e-03] [ 4.96387152e-04 4.58343424e-03 1.36399065e-03] [-8.34169814e-04 6.57428544e-04 3.03440983e-03] [ 3.06690668e-03 -2.62162474e-04 -3.74296421e-04] [-1.85376566e-03 2.57235027e-03 2.41743856e-04] [-1.85376566e-03 -2.57235028e-03 -2.41743854e-04] [ 3.06690668e-03 2.62162482e-04 3.74296429e-04] [ 1.60045068e-03 -2.74119743e-03 -1.29489092e-04] [ 1.60045069e-03 2.74119743e-03 1.29489091e-04] [ 1.46979496e-03 -9.28298261e-04 1.96329554e-03] [ 1.46979496e-03 9.28298260e-04 -1.96329554e-03] [-6.42304731e-04 5.78020724e-04 1.07824858e-03] [-1.35755211e-03 3.38007477e-04 1.45998133e-03] [-6.42304722e-04 -5.78020731e-04 -1.07824859e-03] [-1.35755212e-03 -3.38007480e-04 -1.45998132e-03] [-1.66959642e-03 -2.74164476e-03 -4.64984297e-04] [ 2.30618067e-03 -1.45942381e-03 -1.51394529e-03] [ 2.30618067e-03 1.45942381e-03 1.51394528e-03] [-1.66959642e-03 2.74164477e-03 4.64984298e-04] [-7.75904084e-04 1.10596161e-03 1.58455171e-03] [-1.80642733e-03 6.59960501e-05 -1.47317095e-03] [-1.80642733e-03 -6.59960486e-05 1.47317096e-03] [-7.75904087e-04 -1.10596161e-03 -1.58455171e-03]] Final stress: [ 8.48139064e-05 -5.12493540e-06 8.40665485e-05 1.15876797e-04 7.76154539e-15 -5.23226305e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 6.25123472e-04 4.09841441e-04 3.01066511e-03] [-9.36007643e-04 4.09808566e-03 1.99043951e-03] [-9.36007648e-04 -4.09808566e-03 -1.99043952e-03] [ 6.25123470e-04 -4.09841440e-04 -3.01066511e-03] [-3.83699088e-03 3.37264312e-05 1.19609107e-03] [ 1.92477226e-03 -2.14818070e-03 6.69836118e-04] [ 1.92477226e-03 2.14818069e-03 -6.69836118e-04] [-3.83699088e-03 -3.37264284e-05 -1.19609107e-03] [-1.32359138e-03 2.62917585e-03 3.29970602e-05] [-1.32359138e-03 -2.62917585e-03 -3.29970629e-05] [-2.17929999e-03 1.42209483e-03 -2.56774620e-03] [-2.17930000e-03 -1.42209483e-03 2.56774620e-03] [ 5.04983052e-04 -1.39554453e-05 -9.50949635e-04] [ 2.09363542e-03 1.20696890e-05 -1.27183483e-03] [ 5.04983062e-04 1.39554363e-05 9.50949626e-04] [ 2.09363540e-03 -1.20696960e-05 1.27183484e-03] [ 1.37450382e-03 2.72325948e-03 5.65193828e-04] [-1.88398371e-03 1.43105645e-03 1.53975066e-03] [-1.88398371e-03 -1.43105645e-03 -1.53975066e-03] [ 1.37450384e-03 -2.72325947e-03 -5.65193825e-04] [ 1.96197109e-03 1.87354136e-04 -1.13276186e-03] [ 1.67488449e-03 1.67079531e-04 1.36076307e-03] [ 1.67488450e-03 -1.67079525e-04 -1.36076306e-03] [ 1.96197108e-03 -1.87354137e-04 1.13276185e-03]] Final stress: [-5.47349364e-05 3.46108365e-05 -5.55606593e-05 -1.04402677e-04 1.85546749e-14 -7.96747218e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 9.00949051e-04 -4.14714157e-03 1.96394044e-03] [-6.44703996e-04 -4.09580137e-04 3.00301807e-03] [-6.44703996e-04 4.09580135e-04 -3.00301807e-03] [ 9.00949047e-04 4.14714158e-03 -1.96394044e-03] [-1.92326216e-03 2.17783710e-03 6.13949538e-04] [ 3.81555490e-03 -4.13676986e-05 1.20830843e-03] [ 3.81555490e-03 4.13677036e-05 -1.20830843e-03] [-1.92326215e-03 -2.17783711e-03 -6.13949542e-04] [ 2.13295548e-03 -1.42223850e-03 -2.56695786e-03] [ 2.13295547e-03 1.42223850e-03 2.56695786e-03] [ 1.30930907e-03 -2.63037029e-03 4.82338199e-05] [ 1.30930907e-03 2.63037029e-03 -4.82338201e-05] [-2.08387459e-03 -6.05595285e-07 1.26975987e-03] [-5.40498958e-04 -6.47294056e-05 9.65782624e-04] [-2.08387458e-03 6.05590723e-07 -1.26975988e-03] [-5.40498964e-04 6.47294020e-05 -9.65782620e-04] [ 1.91426506e-03 -1.40020616e-03 1.57578945e-03] [-1.34566713e-03 -2.72777426e-03 5.32674748e-04] [-1.34566712e-03 2.72777427e-03 -5.32674749e-04] [ 1.91426507e-03 1.40020615e-03 -1.57578945e-03] [-1.63116115e-03 -1.29864150e-04 1.38222716e-03] [-1.90386558e-03 -1.69555759e-04 -1.12453275e-03] [-1.90386559e-03 1.69555757e-04 1.12453275e-03] [-1.63116114e-03 1.29864153e-04 -1.38222717e-03]] Final stress: [-5.59469935e-05 3.33197000e-05 -5.67748045e-05 1.04604656e-04 9.66873401e-15 1.19228975e-14] Minimization converged after 104 steps. Minimization converged after 102 steps. Minimization converged after 110 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 2.25189506e-04 -3.51002196e-03 6.48545853e-04] [-3.24162903e-03 5.78766517e-03 1.02281230e-02] [-2.25189502e-04 -3.51002196e-03 -6.48545847e-04] [ 3.24162903e-03 5.78766517e-03 -1.02281230e-02] [-4.55846551e-03 -1.02640495e-03 1.46201996e-03] [ 9.79161470e-03 -4.91656491e-03 5.82907475e-04] [ 4.55846551e-03 -1.02640496e-03 -1.46201996e-03] [-9.79161469e-03 -4.91656491e-03 -5.82907482e-04] [-2.99800073e-03 3.81289962e-04 -4.16439795e-03] [ 3.57225027e-03 -2.90637217e-03 5.34721743e-04] [-3.57225027e-03 -2.90637217e-03 -5.34721752e-04] [ 2.99800073e-03 3.81289963e-04 4.16439795e-03] [-2.06517549e-03 3.93755285e-03 -3.65869937e-03] [ 2.06517551e-03 3.93755285e-03 3.65869938e-03] [ 3.03267272e-03 3.89997898e-03 -5.73451046e-03] [-3.03267272e-03 3.89997899e-03 5.73451045e-03] [ 4.65132429e-03 2.82786438e-03 -4.63839758e-03] [-1.53367710e-03 4.30927157e-05 1.05413648e-02] [-4.65132430e-03 2.82786437e-03 4.63839758e-03] [ 1.53367709e-03 4.30927061e-05 -1.05413648e-02] [ 5.87834820e-03 -2.96114550e-03 -2.62987861e-03] [ 8.10460861e-04 -1.55693455e-03 1.71338864e-03] [-5.87834821e-03 -2.96114550e-03 2.62987862e-03] [-8.10460875e-04 -1.55693456e-03 -1.71338863e-03]] Final stress: [-1.71891398e-04 1.17788523e-04 -1.53499327e-04 4.68981076e-15 3.12470893e-04 4.79533164e-15] Minimization converged after 106 steps. Minimization converged after 106 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.41266307e-03 -2.50692835e-03 2.69875899e-03] [ 1.41266307e-03 2.50692835e-03 2.69875899e-03] [-3.77011885e-03 -1.11433775e-03 -3.09803219e-03] [ 3.77011885e-03 1.11433774e-03 -3.09803219e-03] [-4.83176022e-03 3.75000409e-04 3.88910772e-03] [ 4.83176023e-03 -3.75000404e-04 3.88910771e-03] [ 1.76021110e-03 1.66701404e-03 1.86114131e-03] [-1.76021110e-03 -1.66701404e-03 1.86114131e-03] [ 8.63745518e-04 1.80750923e-03 -2.87682408e-03] [ 6.51887687e-04 1.12624297e-04 3.93947068e-04] [-8.63745531e-04 -1.80750923e-03 -2.87682407e-03] [-6.51887687e-04 -1.12624297e-04 3.93947067e-04] [-6.62232991e-05 5.29627588e-04 1.00679574e-03] [ 1.57674529e-03 -1.08498140e-04 7.03368925e-04] [-1.57674530e-03 1.08498142e-04 7.03368930e-04] [ 6.62233112e-05 -5.29627578e-04 1.00679574e-03] [-9.63495260e-04 6.02901412e-04 7.20797439e-04] [ 9.63495275e-04 -6.02901412e-04 7.20797445e-04] [-4.77013222e-03 6.46722132e-04 -1.24023645e-03] [ 4.77013221e-03 -6.46722139e-04 -1.24023644e-03] [ 1.48315954e-04 1.09006581e-03 -1.94873072e-03] [-1.48315964e-04 -1.09006582e-03 -1.94873073e-03] [-2.38222156e-04 -1.32689613e-03 -2.11009375e-03] [ 2.38222163e-04 1.32689613e-03 -2.11009375e-03]] Final stress: [-5.37301095e-05 4.88256429e-05 -5.16224799e-05 7.66545343e-15 -1.73363289e-14 1.23332578e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-0.00441285 -0.00212968 -0.00803087] [ 0.00441285 0.00212968 -0.00803087] [ 0.00441285 -0.00212968 0.00803087] [-0.00441285 0.00212968 0.00803087] [-0.01526176 -0.00296531 -0.0036178 ] [ 0.01526176 0.00296531 -0.0036178 ] [ 0.01526176 -0.00296531 0.0036178 ] [-0.01526176 0.00296531 0.0036178 ] [ 0.00305677 -0.00199593 0.0033351 ] [ 0.00305677 0.00199593 -0.0033351 ] [-0.00305677 0.00199593 0.0033351 ] [-0.00305677 -0.00199593 -0.0033351 ] [ 0.00859312 -0.00054901 -0.00435972] [-0.00859312 -0.00054901 0.00435972] [ 0.00859312 0.00054901 0.00435972] [-0.00859312 0.00054901 -0.00435972] [ 0.00325457 -0.00582943 0.0078391 ] [-0.00325457 0.00582943 0.0078391 ] [-0.00325457 -0.00582943 -0.0078391 ] [ 0.00325457 0.00582943 -0.0078391 ] [-0.00119568 0.00148213 0.00815539] [ 0.00119568 -0.00148213 0.00815539] [ 0.00119568 0.00148213 -0.00815539] [-0.00119568 -0.00148213 -0.00815539]] Final stress: [ 1.38531974e-05 1.52767178e-05 -1.99031342e-04 -2.34375820e-15 -9.83635447e-16 1.76907858e-14] Minimization converged after 54 steps. Minimization converged after 101 steps. Minimization converged after 110 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 0.00454084 -0.00172716 -0.00359033] [-0.00494003 -0.00597345 -0.00167262] [-0.00494003 0.00597345 0.00167262] [ 0.00454084 0.00172716 0.00359033] [ 0.00108817 -0.00103133 0.00119568] [ 0.00037278 0.00087172 0.00071051] [ 0.00037278 -0.00087172 -0.00071051] [ 0.00108817 0.00103133 -0.00119568] [ 0.00656332 -0.00773297 0.00068753] [ 0.00656332 0.00773297 -0.00068753] [ 0.00313867 0.00375277 0.0015705 ] [ 0.00313867 -0.00375277 -0.0015705 ] [-0.00488509 0.00138439 0.00266846] [ 0.00071021 0.00158389 0.00010395] [-0.00488509 -0.00138439 -0.00266846] [ 0.00071021 -0.00158389 -0.00010395] [ 0.00077515 -0.0030901 0.00089132] [-0.00197606 -0.00806543 0.00090529] [-0.00197606 0.00806543 -0.00090529] [ 0.00077515 0.0030901 -0.00089132] [-0.00278336 0.00030873 0.00109459] [-0.00260461 -0.0019031 -0.00149984] [-0.00260461 0.0019031 0.00149984] [-0.00278336 -0.00030873 -0.00109459]] Final stress: [-6.05204761e-05 -6.60613129e-05 1.17783950e-04 2.10981044e-04 2.10363390e-14 -1.09185587e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00138909 -0.00048753 0.0048553 ] [ 0.0031783 0.00088144 -0.00073659] [ 0.00138909 -0.00048753 -0.0048553 ] [-0.0031783 0.00088144 0.00073659] [-0.00155584 0.00139022 0.0003827 ] [-0.00114255 0.00063695 0.00063507] [ 0.00155584 0.00139022 -0.0003827 ] [ 0.00114255 0.00063695 -0.00063507] [ 0.00025541 0.00189577 -0.00278755] [-0.00031587 -0.00317701 0.00023109] [ 0.00031587 -0.00317701 -0.00023109] [-0.00025541 0.00189577 0.00278755] [ 0.00203999 -0.00152572 0.00094153] [-0.00203999 -0.00152572 -0.00094153] [-0.00013034 -0.00170306 0.00288791] [ 0.00013034 -0.00170306 -0.00288791] [-0.00156877 -0.0024427 0.00152453] [ 0.00047231 0.00181984 -0.00283007] [ 0.00156877 -0.0024427 -0.00152453] [-0.00047231 0.00181984 0.00283007] [-0.00159862 0.00195499 -0.00012061] [-0.00167042 0.00075682 0.00126003] [ 0.00159862 0.00195499 0.00012061] [ 0.00167042 0.00075682 -0.00126003]] Final stress: [ 8.88916460e-05 8.96518032e-05 -5.76320636e-06 2.49117359e-14 -1.24403146e-04 1.16212599e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00318661 -0.00088475 -0.00074025] [ 0.00138951 0.00048617 0.0048697 ] [ 0.00318661 -0.00088475 0.00074025] [-0.00138951 0.00048617 -0.0048697 ] [ 0.0011458 -0.00063846 0.00063992] [ 0.00155944 -0.00139307 0.00038579] [-0.0011458 -0.00063846 -0.00063992] [-0.00155944 -0.00139307 -0.00038579] [-0.00031304 0.00318343 -0.00023144] [ 0.00025691 -0.00189743 0.0027985 ] [-0.00025691 -0.00189743 -0.0027985 ] [ 0.00031304 0.00318343 0.00023144] [-0.00013177 0.0017101 -0.00289591] [ 0.00013177 0.0017101 0.00289591] [ 0.00204296 0.00152931 -0.00094237] [-0.00204296 0.00152931 0.00094237] [-0.00047369 -0.00182798 -0.0028361 ] [ 0.00157305 0.00244996 0.00152642] [ 0.00047369 -0.00182798 0.0028361 ] [-0.00157305 0.00244996 -0.00152642] [ 0.00167677 -0.00075504 0.00126725] [ 0.00160461 -0.00196224 -0.00012254] [-0.00167677 -0.00075504 -0.00126725] [-0.00160461 -0.00196224 0.00012254]] Final stress: [ 8.91934191e-05 8.99539109e-05 -5.72058139e-06 5.58936299e-15 1.24816149e-04 -1.96391265e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 2.99129676e-03 6.16074865e-04 4.12820405e-04] [-1.96691453e-03 -9.10039802e-04 -4.15281813e-03] [-2.99129676e-03 6.16074862e-04 -4.12820402e-04] [ 1.96691453e-03 -9.10039805e-04 4.15281812e-03] [-9.63974613e-04 5.18649422e-04 -1.77368236e-05] [-1.29827586e-03 2.07817477e-03 5.79541531e-06] [ 9.63974615e-04 5.18649418e-04 1.77368290e-05] [ 1.29827586e-03 2.07817477e-03 -5.79542089e-06] [ 1.21400965e-03 -3.81084305e-03 1.34700456e-05] [ 6.25387350e-04 1.93222065e-03 -2.18249181e-03] [-6.25387354e-04 1.93222064e-03 2.18249182e-03] [-1.21400965e-03 -3.81084305e-03 -1.34700507e-05] [ 4.41087221e-05 -1.27313536e-03 2.64467528e-03] [-4.41087230e-05 -1.27313536e-03 -2.64467528e-03] [-2.59281602e-03 -2.10417157e-03 1.43804625e-03] [ 2.59281602e-03 -2.10417157e-03 -1.43804625e-03] [ 5.12277327e-04 1.32158520e-03 2.69543417e-03] [-1.56145131e-03 -1.93082409e-03 -1.42263963e-03] [-5.12277324e-04 1.32158520e-03 -2.69543418e-03] [ 1.56145131e-03 -1.93082409e-03 1.42263964e-03] [-1.09615427e-03 1.92366945e-03 1.75407188e-04] [-1.39724990e-03 1.63863952e-03 -1.29548697e-04] [ 1.09615427e-03 1.92366945e-03 -1.75407186e-04] [ 1.39724990e-03 1.63863952e-03 1.29548694e-04]] Final stress: [-5.58447272e-05 -5.50065498e-05 3.48468262e-05 6.45094370e-15 -1.05102201e-04 3.13398928e-15] Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 2.73471008e-04 4.10167692e-05 2.66533229e-03] [-2.73471004e-04 -4.10167650e-05 2.66533229e-03] [ 6.73906319e-03 -2.14012030e-03 -2.55551439e-03] [-6.73906319e-03 2.14012030e-03 -2.55551440e-03] [ 2.09209381e-03 1.30157631e-03 -1.06988382e-03] [-2.09209381e-03 -1.30157631e-03 -1.06988383e-03] [ 3.63505928e-03 -2.10802838e-03 -2.32309182e-03] [-3.63505928e-03 2.10802838e-03 -2.32309182e-03] [ 7.36413755e-04 2.57373050e-03 2.05455359e-04] [ 1.27624342e-04 -5.79729937e-03 4.02967914e-03] [-7.36413758e-04 -2.57373050e-03 2.05455367e-04] [-1.27624351e-04 5.79729937e-03 4.02967913e-03] [ 2.33544187e-04 1.54179913e-03 -2.08099487e-03] [-1.84020984e-03 -2.28445060e-04 -4.37309790e-05] [ 1.84020984e-03 2.28445054e-04 -4.37309836e-05] [-2.33544193e-04 -1.54179913e-03 -2.08099487e-03] [ 1.34061037e-03 -3.38911473e-03 -3.53060508e-03] [-1.34061037e-03 3.38911474e-03 -3.53060508e-03] [ 5.13294226e-03 -6.48566568e-04 2.38758857e-04] [-5.13294225e-03 6.48566567e-04 2.38758871e-04] [ 1.48145023e-03 -1.36314478e-03 3.19664143e-03] [-1.48145022e-03 1.36314478e-03 3.19664143e-03] [-4.71445099e-04 1.67337746e-03 1.26795389e-03] [ 4.71445096e-04 -1.67337745e-03 1.26795388e-03]] Final stress: [ 1.49537256e-04 1.42993462e-04 6.70693771e-06 2.00156146e-15 6.24481397e-15 -1.47295443e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-6.72846175e-03 -2.13269124e-03 2.56112623e-03] [ 6.72846175e-03 2.13269124e-03 2.56112622e-03] [-3.16416631e-04 6.44016774e-05 -2.66293284e-03] [ 3.16416634e-04 -6.44016813e-05 -2.66293284e-03] [-3.71916541e-03 -2.20221571e-03 2.39279763e-03] [ 3.71916541e-03 2.20221571e-03 2.39279763e-03] [-2.02446083e-03 1.18267614e-03 1.06167443e-03] [ 2.02446083e-03 -1.18267614e-03 1.06167442e-03] [ 2.07973932e-04 5.76162309e-03 -4.03523522e-03] [ 8.45015830e-04 -2.55841487e-03 -1.80192053e-04] [-2.07973937e-04 -5.76162309e-03 -4.03523522e-03] [-8.45015838e-04 2.55841487e-03 -1.80192060e-04] [ 1.83894916e-03 -1.22790230e-04 2.71208983e-05] [-1.94706916e-04 1.58529294e-03 2.10496595e-03] [ 1.94706910e-04 -1.58529294e-03 2.10496595e-03] [-1.83894916e-03 1.22790237e-04 2.71208959e-05] [-5.14329784e-03 -6.39444886e-04 -2.58226068e-04] [ 5.14329784e-03 6.39444891e-04 -2.58226058e-04] [-1.31939154e-03 -3.40642657e-03 3.58249144e-03] [ 1.31939154e-03 3.40642657e-03 3.58249145e-03] [ 4.57210542e-04 1.69316114e-03 -1.28738774e-03] [-4.57210538e-04 -1.69316115e-03 -1.28738774e-03] [-1.53035690e-03 -1.37327404e-03 -3.30620265e-03] [ 1.53035690e-03 1.37327405e-03 -3.30620265e-03]] Final stress: [ 1.53473740e-04 1.46893541e-04 9.68277715e-06 1.61435984e-14 -9.06475807e-15 1.47333267e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 1.02251617e-02 3.24513087e-03 -5.78146433e-03] [-1.02251617e-02 -3.24513087e-03 -5.78146433e-03] [-6.52770631e-04 2.20974851e-04 3.51122008e-03] [ 6.52770630e-04 -2.20974850e-04 3.51122008e-03] [ 5.72413472e-03 3.02223049e-03 -3.88809562e-03] [-5.72413472e-03 -3.02223050e-03 -3.88809562e-03] [ 3.66395739e-03 -2.07118708e-03 -3.93382590e-03] [-3.66395739e-03 2.07118707e-03 -3.93382591e-03] [ 5.96942451e-04 -9.79620931e-03 4.91756518e-03] [ 1.45628194e-03 4.55813211e-03 1.02930345e-03] [-5.96942444e-04 9.79620931e-03 4.91756518e-03] [-1.45628194e-03 -4.55813212e-03 1.02930345e-03] [-5.28137290e-04 3.58372124e-03 2.89925931e-03] [ 4.16050760e-03 -3.00609213e-03 -3.80400774e-04] [-4.16050759e-03 3.00609213e-03 -3.80400775e-04] [ 5.28137282e-04 -3.58372125e-03 2.89925931e-03] [ 1.05444746e-02 1.52386364e-03 -5.03043069e-05] [-1.05444746e-02 -1.52386364e-03 -5.03043029e-05] [ 4.63974959e-03 4.65782301e-03 -2.83424230e-03] [-4.63974959e-03 -4.65782300e-03 -2.83424230e-03] [ 1.70257350e-03 -8.06701239e-04 1.55547080e-03] [-1.70257350e-03 8.06701253e-04 1.55547080e-03] [ 2.63008689e-03 5.87355531e-03 2.95551442e-03] [-2.63008689e-03 -5.87355531e-03 2.95551442e-03]] Final stress: [-1.53290731e-04 -1.71650893e-04 1.17756103e-04 2.25399642e-16 2.45220753e-16 -3.12077491e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 75 steps. Final forces: [[-0.00448843 0.00556192 -0.00011372] [ 0.00448842 -0.00556193 -0.00011371] [-0.0011788 -0.00089169 0.00240702] [ 0.00117879 0.0008917 0.00240703] [ 0.00509115 0.00166639 0.00111143] [-0.00509114 -0.00166639 0.00111142] [ 0.0036652 0.00123262 -0.00948911] [-0.00366521 -0.00123262 -0.0094891 ] [ 0.00134438 0.00522906 -0.00487259] [ 0.0013227 0.00126996 0.00802104] [-0.00134438 -0.00522906 -0.00487259] [-0.00132269 -0.00126997 0.00802104] [-0.00474082 -0.00323461 0.00373517] [-0.0008865 -0.0057682 -0.00296109] [ 0.00088649 0.0057682 -0.00296109] [ 0.00474082 0.00323461 0.00373517] [ 0.00687525 0.003643 0.00472475] [-0.00687525 -0.003643 0.00472474] [-0.00320645 0.00322331 -0.00528644] [ 0.00320644 -0.00322331 -0.00528645] [-0.00029608 -0.00034192 0.00398104] [ 0.00029608 0.00034193 0.00398104] [ 0.00623141 0.00167752 -0.0012575 ] [-0.00623141 -0.00167754 -0.00125751]] Final stress: [ 3.59367863e-03 3.48714790e-03 1.21706284e-02 -5.25082011e-12 3.42883328e-12 -2.88715871e-05] Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 24 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 30 steps. Minimization converged after 24 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.01858327 0.0334327 0.0286726 ] [-0.01858327 -0.0334327 0.0286726 ] [-0.01858327 0.0334327 -0.0286726 ] [ 0.01858327 -0.0334327 -0.0286726 ] [-0.00432302 0.06149437 -0.0490696 ] [ 0.00432302 -0.06149437 -0.0490696 ] [ 0.00432302 0.06149437 0.0490696 ] [-0.00432302 -0.06149437 0.0490696 ] [ 0.04557624 -0.03764165 -0.01790721] [ 0.04557624 0.03764165 0.01790721] [-0.04557624 0.03764165 -0.01790721] [-0.04557624 -0.03764165 0.01790721] [ 0.03216223 0.03451852 -0.01109565] [-0.03216223 0.03451852 0.01109565] [ 0.03216223 -0.03451852 0.01109565] [-0.03216223 -0.03451852 -0.01109565] [ 0.03637238 -0.0117745 -0.08076961] [-0.03637238 0.0117745 -0.08076961] [-0.03637238 -0.0117745 0.08076961] [ 0.03637238 0.0117745 0.08076961] [ 0.03997928 -0.00894255 -0.04764556] [-0.03997928 0.00894255 -0.04764556] [-0.03997928 -0.00894255 0.04764556] [ 0.03997928 0.00894255 0.04764556]] Final stress: [-3.60470989e-04 4.26087726e-04 1.86782788e-04 2.57478966e-12 2.83170048e-12 -2.13371726e-12] Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.0011281 0.00357387 0.0006639 ] [-0.0011281 -0.00357387 0.0006639 ] [-0.0011281 0.00357387 -0.0006639 ] [ 0.0011281 -0.00357387 -0.0006639 ] [-0.0002489 0.01160959 -0.00445508] [ 0.0002489 -0.01160959 -0.00445508] [ 0.0002489 0.01160959 0.00445508] [-0.0002489 -0.01160959 0.00445508] [-0.00169119 0.00067852 0.00170844] [-0.00169119 -0.00067852 -0.00170844] [ 0.00169119 -0.00067852 0.00170844] [ 0.00169119 0.00067852 -0.00170844] [-0.00359083 0.00990284 -0.0050264 ] [ 0.00359083 0.00990284 0.0050264 ] [-0.00359083 -0.00990284 0.0050264 ] [ 0.00359083 -0.00990284 -0.0050264 ] [-0.00051403 0.00771217 -0.00986832] [ 0.00051403 -0.00771217 -0.00986832] [ 0.00051403 0.00771217 0.00986832] [-0.00051403 -0.00771217 0.00986832] [-0.00061331 0.00540885 -0.00771981] [ 0.00061331 -0.00540885 -0.00771981] [ 0.00061331 0.00540885 0.00771981] [-0.00061331 -0.00540885 0.00771981]] Final stress: [-3.19766121e-05 -3.76413279e-05 9.96265096e-05 -4.02084923e-13 5.98263886e-14 -6.62139603e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.0023389 -0.00507157 0.00285302] [-0.0023389 0.00507157 0.00285302] [-0.0023389 -0.00507157 -0.00285302] [ 0.0023389 0.00507157 -0.00285302] [-0.00475912 -0.0005421 0.00144336] [ 0.00475912 0.0005421 0.00144336] [ 0.00475912 -0.0005421 -0.00144336] [-0.00475912 0.0005421 -0.00144335] [-0.00039744 0.00237628 0.00504579] [-0.00039744 -0.00237628 -0.00504579] [ 0.00039744 -0.00237628 0.00504579] [ 0.00039744 0.00237628 -0.00504579] [-0.00392571 -0.00121256 0.00289024] [ 0.00392571 -0.00121256 -0.00289024] [-0.00392571 0.00121256 -0.00289024] [ 0.00392571 0.00121256 0.00289024] [ 0.00176607 -0.0029204 0.00164409] [-0.00176607 0.0029204 0.00164409] [-0.00176607 -0.0029204 -0.00164409] [ 0.00176607 0.0029204 -0.00164409] [ 0.00265532 0.00359104 -0.00637764] [-0.00265532 -0.00359104 -0.00637764] [-0.00265532 0.00359104 0.00637764] [ 0.00265532 -0.00359104 0.00637764]] Final stress: [-6.77179079e-05 4.87620717e-05 -7.14194355e-06 5.84815548e-14 2.59556640e-13 -1.95369131e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00218816 0.00495086 -0.00265006] [ 0.00218816 -0.00495086 -0.00265006] [ 0.00218816 0.00495086 0.00265006] [-0.00218816 -0.00495086 0.00265006] [ 0.00505441 0.00112867 -0.00132524] [-0.00505441 -0.00112867 -0.00132524] [-0.00505441 0.00112867 0.00132524] [ 0.00505441 -0.00112867 0.00132524] [ 0.00023986 -0.00197384 -0.00452244] [ 0.00023986 0.00197384 0.00452244] [-0.00023986 0.00197384 -0.00452244] [-0.00023986 -0.00197384 0.00452244] [ 0.00395619 0.00092317 -0.00259221] [-0.00395619 0.00092317 0.00259221] [ 0.00395619 -0.00092317 0.00259221] [-0.00395619 -0.00092317 -0.00259221] [-0.00121175 0.00287645 -0.00118745] [ 0.00121175 -0.00287645 -0.00118745] [ 0.00121175 0.00287645 0.00118745] [-0.00121175 -0.00287645 0.00118745] [-0.00278539 -0.00339667 0.00605238] [ 0.00278539 0.00339667 0.00605238] [ 0.00278539 -0.00339667 -0.00605238] [-0.00278539 0.00339667 -0.00605238]] Final stress: [ 4.68267043e-05 -6.52212907e-05 -7.01461760e-06 -2.37350983e-14 8.49438415e-14 7.57746820e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00111929 -0.0039277 -0.00081469] [ 0.00111929 0.0039277 -0.00081469] [ 0.00111929 -0.0039277 0.00081469] [-0.00111929 0.0039277 0.00081469] [ 0.00070988 -0.01286419 0.00600569] [-0.00070988 0.01286419 0.00600569] [-0.00070988 -0.01286419 -0.00600569] [ 0.00070988 0.01286419 -0.00600569] [ 0.00322716 -0.00049322 -0.00132467] [ 0.00322716 0.00049322 0.00132467] [-0.00322716 0.00049322 -0.00132467] [-0.00322716 -0.00049322 0.00132467] [ 0.00398062 -0.0113175 0.00571233] [-0.00398062 -0.0113175 -0.00571233] [ 0.00398062 0.0113175 -0.00571233] [-0.00398062 0.0113175 0.00571233] [ 0.00102501 -0.00943718 0.01118639] [-0.00102501 0.00943718 0.01118639] [-0.00102501 -0.00943718 -0.01118639] [ 0.00102501 0.00943718 -0.01118639] [ 0.00126437 -0.0057795 0.0100311 ] [-0.00126437 0.0057795 0.0100311 ] [-0.00126437 -0.0057795 -0.0100311 ] [ 0.00126437 0.0057795 -0.0100311 ]] Final stress: [ 6.59595393e-05 5.86969205e-05 -8.75208411e-05 -8.87302035e-14 -2.62309143e-13 -2.54894981e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00357178 0.00066351 0.00112682] [-0.00357178 -0.00066351 0.00112682] [-0.00357178 0.00066351 -0.00112682] [ 0.00357178 -0.00066351 -0.00112682] [ 0.00067641 0.00170816 -0.00169131] [-0.00067641 -0.00170816 -0.00169131] [-0.00067641 0.00170816 0.00169131] [ 0.00067641 -0.00170816 0.00169131] [ 0.00990043 -0.00502758 -0.00359019] [ 0.00990043 0.00502758 0.00359019] [-0.00990043 0.00502758 -0.00359019] [-0.00990043 -0.00502758 0.00359019] [ 0.01160825 -0.0044524 -0.00024926] [-0.01160825 -0.0044524 0.00024926] [ 0.01160825 0.0044524 0.00024926] [-0.01160825 0.0044524 -0.00024926] [ 0.00771239 -0.00986736 -0.00051379] [-0.00771239 0.00986736 -0.00051379] [-0.0077124 -0.00986736 0.00051379] [ 0.00771239 0.00986736 0.00051379] [ 0.00540804 -0.00771875 -0.00061171] [-0.00540804 0.00771876 -0.00061171] [-0.00540804 -0.00771875 0.00061171] [ 0.00540804 0.00771875 0.00061171]] Final stress: [-3.76417471e-05 9.96477093e-05 -3.19777777e-05 -2.71874163e-13 -9.36721642e-13 -6.74286633e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00495086 -0.00265006 -0.00218816] [-0.00495086 0.00265006 -0.00218816] [-0.00495086 -0.00265006 0.00218816] [ 0.00495086 0.00265006 0.00218816] [-0.00197384 -0.00452244 0.00023986] [ 0.00197384 0.00452244 0.00023986] [ 0.00197384 -0.00452244 -0.00023986] [-0.00197384 0.00452244 -0.00023986] [ 0.00092317 -0.00259221 0.00395619] [ 0.00092317 0.00259221 -0.00395619] [-0.00092317 0.00259221 0.00395619] [-0.00092317 -0.00259221 -0.00395619] [ 0.00112867 -0.00132524 0.00505441] [-0.00112867 -0.00132524 -0.00505441] [ 0.00112867 0.00132524 -0.00505441] [-0.00112867 0.00132524 0.00505441] [ 0.00287645 -0.00118745 -0.00121175] [-0.00287645 0.00118745 -0.00121175] [-0.00287645 -0.00118745 0.00121175] [ 0.00287645 0.00118745 0.00121175] [-0.00339667 0.00605238 -0.00278539] [ 0.00339667 -0.00605238 -0.00278539] [ 0.00339667 0.00605238 0.00278539] [-0.00339667 -0.00605238 0.00278539]] Final stress: [-6.52212922e-05 -7.01461748e-06 4.68267055e-05 -7.25458193e-14 3.03421255e-14 -1.85086125e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.0050582 0.00284991 0.00232758] [ 0.0050582 -0.00284991 0.00232758] [ 0.0050582 0.00284991 -0.00232758] [-0.0050582 -0.00284991 -0.00232758] [ 0.00236987 0.00504893 -0.00041626] [-0.00236987 -0.00504893 -0.00041626] [-0.00236987 0.00504893 0.00041626] [ 0.00236987 -0.00504893 0.00041626] [-0.00119901 0.00288262 -0.00392781] [-0.00119901 -0.00288262 0.00392781] [ 0.00119901 -0.00288262 -0.00392781] [ 0.00119901 0.00288262 0.00392781] [-0.0005435 0.00144819 -0.00474573] [ 0.0005435 0.00144819 0.00474573] [-0.0005435 -0.00144819 0.00474573] [ 0.0005435 -0.00144819 -0.00474573] [-0.00292315 0.00163048 0.00178106] [ 0.00292315 -0.00163048 0.00178106] [ 0.00292315 0.00163048 -0.00178106] [-0.00292315 -0.00163048 -0.00178106] [ 0.00357521 -0.00634834 0.00264198] [-0.00357521 0.00634834 0.00264198] [-0.00357521 -0.00634834 -0.00264198] [ 0.00357521 0.00634834 -0.00264198]] Final stress: [ 4.87756364e-05 -7.13772712e-06 -6.77134782e-05 1.78663857e-13 -1.86250440e-13 6.57595443e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00392725 -0.00081445 -0.00111908] [ 0.00392725 0.00081445 -0.00111908] [ 0.00392725 -0.00081445 0.00111908] [-0.00392725 0.00081445 0.00111908] [-0.00049309 -0.00132446 0.00322692] [ 0.00049309 0.00132446 0.00322692] [ 0.00049309 -0.00132446 -0.00322692] [-0.00049309 0.00132446 -0.00322692] [-0.01131648 0.00571173 0.00398016] [-0.01131648 -0.00571173 -0.00398016] [ 0.01131648 -0.00571173 0.00398016] [ 0.01131648 0.00571173 -0.00398016] [-0.0128631 0.00600505 0.00070979] [ 0.0128631 0.00600505 -0.00070979] [-0.0128631 -0.00600505 -0.00070979] [ 0.0128631 -0.00600505 0.00070979] [-0.00943635 0.01118503 0.00102492] [ 0.00943635 -0.01118503 0.00102492] [ 0.00943635 0.01118503 -0.00102492] [-0.00943635 -0.01118503 -0.00102492] [-0.00577894 0.01003025 0.00126413] [ 0.00577894 -0.01003025 0.00126413] [ 0.00577894 0.01003025 -0.00126413] [-0.00577894 -0.01003025 -0.00126413]] Final stress: [ 5.86900266e-05 -8.75147288e-05 6.59536630e-05 1.49507887e-13 -1.95222331e-13 1.10459825e-12] Minimization converged after 101 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-3.23046776e-03 8.61877751e-03 3.64296934e-03] [ 3.59953252e-03 7.19832948e-04 -2.68972433e-03] [ 3.59953250e-03 -7.19832934e-04 2.68972431e-03] [-3.23046777e-03 -8.61877751e-03 -3.64296933e-03] [-1.57899790e-03 -4.42657422e-03 2.44129309e-04] [-5.12990491e-03 -2.36464367e-03 9.27222661e-04] [-5.12990490e-03 2.36464366e-03 -9.27222694e-04] [-1.57899791e-03 4.42657426e-03 -2.44129279e-04] [-4.60226281e-03 4.25318632e-03 -3.28868484e-04] [-4.60226282e-03 -4.25318632e-03 3.28868468e-04] [-3.96377531e-03 4.80757696e-03 -5.82434228e-03] [-3.96377529e-03 -4.80757698e-03 5.82434232e-03] [ 4.30609563e-03 3.25291396e-03 -7.07975347e-03] [-9.13091591e-04 1.06924095e-03 2.46216608e-03] [ 4.30609571e-03 -3.25291402e-03 7.07975341e-03] [-9.13091622e-04 -1.06924095e-03 -2.46216606e-03] [ 1.33736988e-03 5.47842600e-03 3.67762131e-03] [ 5.20089548e-05 3.12480030e-04 5.57205893e-03] [ 5.20089764e-05 -3.12480051e-04 -5.57205894e-03] [ 1.33736991e-03 -5.47842595e-03 -3.67762128e-03] [ 5.14282170e-03 -1.46421381e-03 -5.28854293e-03] [ 4.98067160e-03 -1.60837824e-03 4.93052134e-03] [ 4.98067156e-03 1.60837826e-03 -4.93052128e-03] [ 5.14282168e-03 1.46421380e-03 5.28854287e-03]] Final stress: [ 7.69531308e-05 -8.19188394e-05 -8.99165792e-05 -2.26533559e-04 8.10190845e-14 -6.46953150e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-3.42836258e-03 -1.03619691e-03 -2.29435464e-03] [ 3.00870848e-03 -7.66264915e-03 2.98251694e-03] [ 3.00870850e-03 7.66264913e-03 -2.98251692e-03] [-3.42836259e-03 1.03619691e-03 2.29435464e-03] [ 4.20211707e-03 1.99249505e-03 5.59046918e-04] [ 1.04426842e-03 4.20241038e-03 3.85667930e-04] [ 1.04426841e-03 -4.20241037e-03 -3.85667915e-04] [ 4.20211709e-03 -1.99249508e-03 -5.59046972e-04] [ 2.96955117e-03 -4.09183210e-03 -4.94333464e-03] [ 2.96955116e-03 4.09183212e-03 4.94333467e-03] [ 3.69900936e-03 -3.88222499e-03 3.65181297e-05] [ 3.69900934e-03 3.88222502e-03 -3.65181869e-05] [ 8.69008815e-04 8.80692114e-04 -1.87308327e-03] [-3.79153348e-03 2.58095166e-03 6.18002357e-03] [ 8.69008771e-04 -8.80692076e-04 1.87308331e-03] [-3.79153344e-03 -2.58095162e-03 -6.18002360e-03] [ 1.89827572e-04 -5.12732617e-04 5.11560350e-03] [-7.09582972e-04 -4.63309293e-03 2.96226532e-03] [-7.09582983e-04 4.63309292e-03 -2.96226530e-03] [ 1.89827564e-04 5.12732579e-04 -5.11560351e-03] [-3.92225147e-03 1.92267677e-03 4.15618709e-03] [-4.13076039e-03 1.07087015e-03 -4.61890157e-03] [-4.13076038e-03 -1.07087018e-03 4.61890152e-03] [-3.92225144e-03 -1.92267679e-03 -4.15618700e-03]] Final stress: [ 6.92956364e-05 -7.53727985e-05 -8.21856488e-05 2.06851151e-04 -4.81914810e-14 6.58576503e-14] Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 81 steps. Minimization converged after 75 steps. Minimization converged after 99 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 0.0011176 0.00608131 0.00013681] [-0.0011176 -0.00608131 0.00013681] [ 0.00849214 0.00123229 -0.00019651] [-0.00849214 -0.00123229 -0.00019651] [ 0.00621899 0.0019586 -0.00199996] [-0.00621899 -0.0019586 -0.00199996] [ 0.00375199 -0.00486424 -0.00294793] [-0.00375199 0.00486424 -0.00294793] [ 0.00169823 -0.0025911 -0.00034053] [-0.00200973 -0.00267025 0.00513057] [-0.00169823 0.0025911 -0.00034053] [ 0.00200973 0.00267025 0.00513057] [-0.00147685 0.0029369 -0.00849804] [-0.00676536 0.00164971 0.00111244] [ 0.00676536 -0.00164971 0.00111244] [ 0.00147685 -0.0029369 -0.00849804] [ 0.00323826 -0.00017884 0.00304144] [-0.00323826 0.00017884 0.00304144] [ 0.00181891 0.00483036 -0.00470834] [-0.00181891 -0.00483036 -0.00470834] [-0.00046508 -0.00334887 0.004623 ] [ 0.00046508 0.00334887 0.004623 ] [-0.00172062 0.00453749 0.00464706] [ 0.00172062 -0.00453749 0.00464706]] Final stress: [ 8.83099151e-05 -7.72247992e-05 -7.65261015e-05 1.12899429e-13 5.26838782e-14 -2.08216550e-04] Minimization converged after 82 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 6.24466915e-04 3.58676407e-04 6.49157143e-04] [-6.24466921e-04 -3.58676413e-04 6.49157150e-04] [-6.24466901e-04 3.58676392e-04 -6.49157134e-04] [ 6.24466902e-04 -3.58676392e-04 -6.49157133e-04] [-2.30394272e-04 8.76035076e-04 5.81896488e-04] [ 2.30394255e-04 -8.76035101e-04 5.81896508e-04] [ 2.30394204e-04 8.76035176e-04 -5.81896566e-04] [-2.30394237e-04 -8.76035128e-04 -5.81896514e-04] [-1.20375715e-03 -1.75339991e-04 1.63358843e-03] [-1.20375715e-03 1.75339969e-04 -1.63358846e-03] [ 1.20375713e-03 1.75339987e-04 1.63358843e-03] [ 1.20375716e-03 -1.75339985e-04 -1.63358843e-03] [-4.14001806e-04 1.01360145e-03 -1.18212007e-03] [ 4.14001790e-04 1.01360144e-03 1.18212007e-03] [-4.14001798e-04 -1.01360144e-03 1.18212007e-03] [ 4.14001812e-04 -1.01360145e-03 -1.18212008e-03] [-1.80057480e-03 1.10469806e-03 -8.76447904e-05] [ 1.80057484e-03 -1.10469808e-03 -8.76448371e-05] [ 1.80057484e-03 1.10469813e-03 8.76448617e-05] [-1.80057484e-03 -1.10469811e-03 8.76448298e-05] [-1.27082356e-03 9.66308850e-04 -3.66429478e-04] [ 1.27082357e-03 -9.66308863e-04 -3.66429444e-04] [ 1.27082352e-03 9.66308840e-04 3.66429478e-04] [-1.27082350e-03 -9.66308822e-04 3.66429480e-04]] Final stress: [ 5.53231185e-06 1.28627450e-05 7.70598569e-06 -6.61288835e-14 -8.41934263e-15 7.64073538e-14] Minimization converged after 52 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00066291 0.001126 0.00357003] [-0.00066291 -0.001126 0.00357003] [-0.00066291 0.001126 -0.00357003] [ 0.00066291 -0.001126 -0.00357003] [-0.00502649 -0.00358901 0.00989591] [ 0.00502649 0.00358901 0.00989591] [ 0.00502649 -0.00358901 -0.00989591] [-0.00502649 0.00358901 -0.00989591] [-0.00444977 -0.00024956 0.01160406] [-0.00444977 0.00024956 -0.01160406] [ 0.00444977 0.00024956 0.01160405] [ 0.00444977 -0.00024956 -0.01160405] [ 0.00170752 -0.00169099 0.00067543] [-0.00170752 -0.00169099 -0.00067543] [ 0.00170752 0.00169099 -0.00067543] [-0.00170752 0.00169099 0.00067543] [-0.00986319 -0.00051374 0.0077097 ] [ 0.00986319 0.00051374 0.0077097 ] [ 0.00986319 -0.00051374 -0.0077097 ] [-0.00986319 0.00051374 -0.0077097 ] [-0.00771589 -0.00061056 0.00540498] [ 0.00771589 0.00061056 0.00540498] [ 0.00771589 -0.00061056 -0.00540498] [-0.00771589 0.00061056 -0.00540498]] Final stress: [ 9.96286965e-05 -3.19668384e-05 -3.76278752e-05 -1.01104410e-12 -6.23293103e-13 -3.62008395e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00284564 0.00232543 -0.00505164] [-0.00284564 -0.00232543 -0.00505164] [-0.00284564 0.00232543 0.00505164] [ 0.00284564 -0.00232543 0.00505164] [ 0.00288612 -0.00391409 -0.00120577] [-0.00288612 0.00391409 -0.00120577] [-0.00288612 -0.00391409 0.00120577] [ 0.00288612 0.00391409 0.00120577] [ 0.00143946 -0.0047449 -0.00054075] [ 0.00143946 0.0047449 0.00054075] [-0.00143946 0.0047449 -0.00054075] [-0.00143946 -0.0047449 0.00054075] [ 0.00503131 -0.0004003 0.0023647 ] [-0.00503131 -0.0004003 -0.0023647 ] [ 0.00503131 0.0004003 -0.0023647 ] [-0.00503131 0.0004003 0.0023647 ] [ 0.00163487 0.00176892 -0.00291508] [-0.00163487 -0.00176892 -0.00291508] [-0.00163487 0.00176892 0.00291508] [ 0.00163487 -0.00176892 0.00291508] [-0.00635724 0.00264879 0.00357681] [ 0.00635724 -0.00264879 0.00357681] [ 0.00635724 0.00264879 -0.00357681] [-0.00635724 -0.00264879 -0.00357681]] Final stress: [-7.12906680e-06 -6.75010602e-05 4.85904636e-05 -1.39391368e-13 9.11778465e-14 2.31710422e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00264371 -0.00218267 0.00493873] [ 0.00264371 0.00218267 0.00493873] [ 0.00264371 -0.00218267 -0.00493873] [-0.00264371 0.00218267 -0.00493873] [-0.00259389 0.00393266 0.00090736] [ 0.00259389 -0.00393266 0.00090736] [ 0.00259389 0.00393266 -0.00090736] [-0.00259389 -0.00393266 -0.00090736] [-0.00132033 0.00504271 0.00113208] [-0.00132033 -0.00504271 -0.00113208] [ 0.00132033 -0.00504271 0.00113208] [ 0.00132033 0.00504271 -0.00113208] [-0.00450356 0.00025106 -0.00196145] [ 0.00450356 0.00025106 0.00196145] [-0.00450356 -0.00025106 0.00196145] [ 0.00450356 -0.00025106 -0.00196145] [-0.00118841 -0.00120793 0.00287328] [ 0.00118841 0.00120793 0.00287328] [ 0.00118841 -0.00120793 -0.00287328] [-0.00118841 0.00120793 -0.00287328] [ 0.00604873 -0.00279174 -0.00338685] [-0.00604873 0.00279174 -0.00338685] [-0.00604873 -0.00279174 0.00338685] [ 0.00604873 0.00279174 0.00338685]] Final stress: [-7.00596699e-06 4.69179955e-05 -6.52813880e-05 -7.61499240e-14 -2.62761904e-13 2.48148611e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.0008147 -0.00111923 -0.00392764] [ 0.0008147 0.00111923 -0.00392764] [ 0.0008147 -0.00111923 0.00392764] [-0.0008147 0.00111923 0.00392764] [ 0.00571245 0.00398061 -0.01131775] [-0.00571245 -0.00398061 -0.01131775] [-0.00571245 0.00398061 0.01131775] [ 0.00571245 -0.00398061 0.01131775] [ 0.00600586 0.00070984 -0.01286453] [ 0.00600586 -0.00070984 0.01286453] [-0.00600586 -0.00070984 -0.01286453] [-0.00600586 0.00070984 0.01286453] [-0.00132481 0.00322717 -0.00049309] [ 0.00132481 0.00322717 0.00049309] [-0.00132481 -0.00322717 0.00049309] [ 0.00132481 -0.00322717 -0.00049309] [ 0.01118644 0.00102484 -0.0094375 ] [-0.01118644 -0.00102484 -0.0094375 ] [-0.01118644 0.00102484 0.0094375 ] [ 0.01118644 -0.00102484 0.0094375 ] [ 0.01003143 0.0012646 -0.00577956] [-0.01003143 -0.0012646 -0.00577956] [-0.01003143 0.0012646 0.00577956] [ 0.01003143 -0.0012646 0.00577956]] Final stress: [-8.75187561e-05 6.59629159e-05 5.87002320e-05 -2.61568413e-14 5.43358744e-13 1.33639361e-12] Minimization converged after 95 steps. Minimization converged after 96 steps. Minimization converged after 81 steps. Minimization converged after 82 steps. Minimization converged after 109 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 0.00311102 -0.00329773 0.0080487 ] [ 0.00284812 0.00385282 -0.00153611] [-0.00311102 -0.00329773 -0.0080487 ] [-0.00284812 0.00385282 0.00153611] [-0.00645222 0.00415171 0.00271395] [ 0.001685 -0.00114187 0.00055573] [ 0.00645222 0.00415171 -0.00271395] [-0.001685 -0.00114187 -0.00055573] [ 0.00031645 -0.00103064 -0.00458337] [ 0.00019899 -0.00455972 -0.00251531] [-0.00019899 -0.00455972 0.00251531] [-0.00031645 -0.00103064 0.00458337] [ 0.00018845 -0.00373798 0.00434325] [-0.00018845 -0.00373798 -0.00434325] [-0.00518637 -0.00264797 0.00436936] [ 0.00518637 -0.00264797 -0.00436936] [ 0.00287473 0.00036811 0.00463373] [-0.00585323 -0.00036506 -0.00040896] [-0.00287473 0.00036811 -0.00463373] [ 0.00585323 -0.00036506 0.00040896] [-0.00512078 0.00433608 -0.00119062] [-0.0043875 0.00407225 0.00245277] [ 0.00512078 0.00433608 0.00119062] [ 0.0043875 0.00407225 -0.00245277]] Final stress: [-9.33422621e-05 6.84074981e-05 -8.56714463e-05 5.57053394e-14 -2.20990735e-04 5.25181658e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-2.92504306e-03 -3.98317541e-03 -1.68276229e-03] [-3.10450219e-03 3.42371729e-03 8.17032651e-03] [ 2.92504307e-03 -3.98317542e-03 1.68276230e-03] [ 3.10450220e-03 3.42371728e-03 -8.17032652e-03] [-1.62545756e-03 1.19269898e-03 5.53835283e-04] [ 6.55734782e-03 -4.22790560e-03 2.68972358e-03] [ 1.62545757e-03 1.19269897e-03 -5.53835274e-04] [-6.55734781e-03 -4.22790560e-03 -2.68972361e-03] [ 7.82232968e-05 4.54651008e-03 2.55417168e-03] [ 3.86319698e-04 9.41031976e-04 4.68674629e-03] [-3.86319747e-04 9.41031929e-04 -4.68674622e-03] [-7.82233209e-05 4.54651012e-03 -2.55417174e-03] [-5.22024026e-03 2.52273216e-03 -4.43278470e-03] [ 5.22024023e-03 2.52273216e-03 4.43278468e-03] [ 2.66647308e-04 3.68190256e-03 -4.45287384e-03] [-2.66647287e-04 3.68190261e-03 4.45287383e-03] [ 6.01350483e-03 4.21617940e-04 -4.53496383e-04] [-2.81258457e-03 -2.21830054e-04 4.63446756e-03] [-6.01350482e-03 4.21617889e-04 4.53496345e-04] [ 2.81258458e-03 -2.21830069e-04 -4.63446749e-03] [ 4.44481011e-03 -3.98671481e-03 2.64552973e-03] [ 5.17171598e-03 -4.31058512e-03 -1.15457859e-03] [-4.44481012e-03 -3.98671475e-03 -2.64552969e-03] [-5.17171595e-03 -4.31058509e-03 1.15457855e-03]] Final stress: [-9.55233800e-05 7.07283622e-05 -8.74540497e-05 1.34810456e-13 2.27177593e-04 -5.44492429e-14] Minimization converged after 103 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.03053543 0.00793605 0.0190022 ] [-0.03053543 -0.00793605 0.0190022 ] [ 0.02790714 -0.033028 0.00408042] [-0.02790714 0.033028 0.00408042] [-0.01631433 0.00609331 0.00061807] [ 0.01631433 -0.00609331 0.00061807] [ 0.03385551 0.00028627 -0.02722343] [-0.03385551 -0.00028627 -0.02722343] [ 0.02074054 -0.00100054 -0.0053803 ] [ 0.00135334 -0.01543315 0.01648822] [-0.02074054 0.00100054 -0.0053803 ] [-0.00135334 0.01543315 0.01648822] [-0.02026099 0.00271694 -0.01472871] [ 0.00330709 0.01630123 -0.01042549] [-0.00330709 -0.01630123 -0.01042549] [ 0.02026099 -0.00271694 -0.01472871] [ 0.02449995 -0.00984781 -0.00222447] [-0.02449995 0.00984781 -0.00222447] [ 0.00484439 0.0059512 -0.00592393] [-0.00484439 -0.0059512 -0.00592393] [-0.00481021 -0.01066282 0.02135486] [ 0.00481021 0.01066282 0.02135486] [-0.02752365 0.02693103 0.00436257] [ 0.02752365 -0.02693103 0.00436257]] Final stress: [ 3.35892919e-04 9.43900583e-04 3.06672797e-04 2.77450961e-13 -2.59111457e-13 -6.80455923e-04] Minimization converged after 82 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 3.83416024e-04 3.91388519e-04 2.04249883e-04] [-3.83416014e-04 -3.91388508e-04 2.04249872e-04] [-3.83416022e-04 3.91388515e-04 -2.04249880e-04] [ 3.83416015e-04 -3.91388511e-04 -2.04249875e-04] [-8.18546289e-04 -2.67031790e-04 6.19546651e-04] [ 8.18546295e-04 2.67031797e-04 6.19546630e-04] [ 8.18546280e-04 -2.67031775e-04 -6.19546651e-04] [-8.18546292e-04 2.67031795e-04 -6.19546633e-04] [ 3.72019822e-04 -1.36730551e-04 5.48946292e-04] [ 3.72019824e-04 1.36730545e-04 -5.48946303e-04] [-3.72019848e-04 1.36730528e-04 5.48946331e-04] [-3.72019820e-04 -1.36730548e-04 -5.48946295e-04] [ 1.04787377e-03 -7.36786725e-04 -1.47437890e-04] [-1.04787377e-03 -7.36786737e-04 1.47437892e-04] [ 1.04787379e-03 7.36786711e-04 1.47437876e-04] [-1.04787379e-03 7.36786718e-04 -1.47437876e-04] [-4.24638901e-05 -1.13382649e-03 7.07040730e-04] [ 4.24638990e-05 1.13382651e-03 7.07040734e-04] [ 4.24639088e-05 -1.13382649e-03 -7.07040745e-04] [-4.24639031e-05 1.13382650e-03 -7.07040729e-04] [-2.25340666e-04 -7.83693055e-04 6.32482267e-04] [ 2.25340676e-04 7.83693037e-04 6.32482295e-04] [ 2.25340657e-04 -7.83693048e-04 -6.32482265e-04] [-2.25340662e-04 7.83693065e-04 -6.32482312e-04]] Final stress: [8.27904243e-06 6.93654183e-06 2.09450185e-05 2.02684721e-14 1.12536326e-14 2.74355110e-14] Minimization converged after 56 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 6.09218442e-03 7.85297014e-03 -1.57955272e-03] [-3.29703937e-03 4.86431131e-03 -7.03933635e-03] [-3.29703937e-03 -4.86431130e-03 7.03933634e-03] [ 6.09218442e-03 -7.85297014e-03 1.57955273e-03] [-1.61679050e-03 -2.97879052e-03 9.68351209e-04] [-2.07525152e-03 1.40925037e-05 6.53489324e-04] [-2.07525152e-03 -1.40925074e-05 -6.53489325e-04] [-1.61679050e-03 2.97879051e-03 -9.68351204e-04] [-1.69887120e-03 -3.33715104e-03 4.10615009e-03] [-1.69887120e-03 3.33715104e-03 -4.10615009e-03] [-5.98580651e-03 1.07153697e-02 -1.50887186e-04] [-5.98580651e-03 -1.07153697e-02 1.50887183e-04] [-5.69060461e-04 2.28427641e-03 -5.31800127e-04] [ 5.70659120e-03 9.16915628e-04 -4.36901683e-03] [-5.69060454e-04 -2.28427641e-03 5.31800119e-04] [ 5.70659119e-03 -9.16915636e-04 4.36901683e-03] [ 2.36787938e-04 9.04627522e-03 -2.07235181e-04] [-3.00585296e-03 2.31055718e-03 2.42396740e-03] [-3.00585297e-03 -2.31055719e-03 -2.42396740e-03] [ 2.36787937e-04 -9.04627521e-03 2.07235177e-04] [ 3.90179406e-03 8.15345806e-04 -2.94869015e-03] [ 2.31131491e-03 -2.42964417e-03 4.31181296e-03] [ 2.31131491e-03 2.42964418e-03 -4.31181294e-03] [ 3.90179406e-03 -8.15345796e-04 2.94869015e-03]] Final stress: [-6.84300903e-05 -7.59652464e-05 1.56024590e-04 -2.83119299e-04 2.85901183e-14 2.82092320e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 3.29483331e-03 -4.87347850e-03 -7.04600872e-03] [-6.08860212e-03 -7.85459798e-03 -1.58117125e-03] [-6.08860211e-03 7.85459796e-03 1.58117127e-03] [ 3.29483331e-03 4.87347850e-03 7.04600872e-03] [ 2.07702484e-03 -8.07386848e-06 6.52426930e-04] [ 1.60905583e-03 2.97837899e-03 9.77253103e-04] [ 1.60905582e-03 -2.97837897e-03 -9.77253102e-04] [ 2.07702485e-03 8.07384766e-06 -6.52426953e-04] [ 5.97298382e-03 -1.07222791e-02 -1.52907157e-04] [ 5.97298382e-03 1.07222791e-02 1.52907164e-04] [ 1.69238191e-03 3.33355789e-03 4.10937483e-03] [ 1.69238192e-03 -3.33355789e-03 -4.10937482e-03] [-5.70547392e-03 9.04462010e-04 4.37572410e-03] [ 5.72120716e-04 2.29023072e-03 5.36005435e-04] [-5.70547393e-03 -9.04461995e-04 -4.37572409e-03] [ 5.72120746e-04 -2.29023071e-03 -5.36005453e-04] [ 3.01677844e-03 -2.31370862e-03 2.42370824e-03] [-2.19825936e-04 -9.05197942e-03 -2.19433530e-04] [-2.19825953e-04 9.05197942e-03 2.19433546e-04] [ 3.01677842e-03 2.31370859e-03 -2.42370825e-03] [-2.31062140e-03 2.43044678e-03 4.31243389e-03] [-3.91065551e-03 -8.19065678e-04 -2.95081469e-03] [-3.91065552e-03 8.19065664e-04 2.95081466e-03] [-2.31062137e-03 -2.43044677e-03 -4.31243387e-03]] Final stress: [-6.84470369e-05 -7.59891501e-05 1.56253712e-04 2.83276170e-04 -1.11778350e-14 2.96859142e-14] Minimization converged after 101 steps. Minimization converged after 95 steps. Minimization converged after 81 steps. Minimization converged after 82 steps. Minimization converged after 106 steps. Minimization converged after 97 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 8.20782832e-03 3.09800835e-03 -3.46846262e-03] [-8.20782832e-03 -3.09800835e-03 -3.46846262e-03] [ 1.73404056e-03 -2.94694250e-03 4.02518840e-03] [-1.73404059e-03 2.94694253e-03 4.02518843e-03] [ 4.49418529e-03 2.98853413e-04 -3.65773970e-03] [-4.49418530e-03 -2.98853429e-04 -3.65773970e-03] [ 4.44680365e-03 -5.21787914e-03 -2.46940946e-03] [-4.44680368e-03 5.21787918e-03 -2.46940939e-03] [ 2.67001265e-03 -6.58582771e-03 4.25616869e-03] [ 5.43323479e-04 1.60196112e-03 -1.20953890e-03] [-2.67001263e-03 6.58582773e-03 4.25616867e-03] [-5.43323474e-04 -1.60196114e-03 -1.20953886e-03] [-4.72344973e-03 4.03075163e-04 -9.04552876e-04] [-2.56875307e-03 2.72223601e-05 -4.53792831e-03] [ 2.56875313e-03 -2.72223919e-05 -4.53792835e-03] [ 4.72344970e-03 -4.03075187e-04 -9.04552850e-04] [ 4.62655416e-03 2.78487135e-03 1.66250609e-04] [-4.62655419e-03 -2.78487134e-03 1.66250543e-04] [ 4.70065016e-04 6.06516474e-03 -4.47912574e-04] [-4.70064989e-04 -6.06516472e-03 -4.47912590e-04] [-1.14035126e-03 -5.18421195e-03 4.29266592e-03] [ 1.14035130e-03 5.18421195e-03 4.29266599e-03] [-2.70786241e-03 4.44801816e-03 3.95527080e-03] [ 2.70786239e-03 -4.44801817e-03 3.95527076e-03]] Final stress: [-8.83164954e-05 -9.65196186e-05 7.13344583e-05 -6.48972861e-14 7.24988611e-14 -2.29278166e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00159592 -0.00287799 -0.003904 ] [ 0.00159592 0.00287799 -0.003904 ] [-0.00809379 0.00310623 0.00334706] [ 0.00809379 -0.00310623 0.00334706] [-0.00439164 -0.00519643 0.00259507] [ 0.00439164 0.00519643 0.00259507] [-0.00438603 0.00022025 0.00371401] [ 0.00438603 -0.00022025 0.00371401] [ 0.00055346 -0.00165887 0.00116276] [ 0.00270197 0.00649006 -0.00418064] [-0.00055346 0.00165887 0.00116276] [-0.00270197 -0.00649006 -0.00418064] [ 0.0025311 0.00015036 0.00455279] [ 0.00462478 0.00034294 0.00099368] [-0.00462478 -0.00034294 0.00099368] [-0.0025311 -0.00015036 0.00455279] [-0.00042659 0.00591613 0.00038719] [ 0.00042659 -0.00591613 0.00038719] [-0.00463017 0.00284805 -0.00030881] [ 0.00463017 -0.00284805 -0.00030881] [ 0.0025312 0.00440673 -0.0040359 ] [-0.0025312 -0.00440673 -0.0040359 ] [ 0.00117548 -0.00513985 -0.00432322] [-0.00117548 0.00513985 -0.00432322]] Final stress: [-8.63786568e-05 -9.42021691e-05 6.92785827e-05 1.99723868e-14 -5.88484934e-14 2.23385387e-04] Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 20 steps. Minimization converged after 29 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.94039250e-04 4.45268430e-04 2.73449676e-04] [-1.94039251e-04 -4.45268425e-04 2.73449673e-04] [-1.94039212e-04 4.45268386e-04 -2.73449640e-04] [ 1.94039235e-04 -4.45268409e-04 -2.73449665e-04] [-2.20552667e-04 2.04478006e-03 -1.67714871e-03] [ 2.20552642e-04 -2.04478010e-03 -1.67714865e-03] [ 2.20552596e-04 2.04478018e-03 1.67714864e-03] [-2.20552607e-04 -2.04478015e-03 1.67714862e-03] [ 1.32056146e-03 -1.43335027e-03 -8.08161044e-04] [ 1.32056137e-03 1.43335032e-03 8.08161131e-04] [-1.32056143e-03 1.43335029e-03 -8.08161089e-04] [-1.32056145e-03 -1.43335024e-03 8.08161017e-04] [ 8.60275989e-04 6.67819512e-04 -6.59904949e-04] [-8.60275969e-04 6.67819442e-04 6.59904967e-04] [ 8.60275971e-04 -6.67819449e-04 6.59904976e-04] [-8.60275924e-04 -6.67819413e-04 -6.59904998e-04] [ 1.56490331e-03 -9.07589262e-05 -2.27185755e-03] [-1.56490332e-03 9.07589157e-05 -2.27185756e-03] [-1.56490327e-03 -9.07588887e-05 2.27185757e-03] [ 1.56490330e-03 9.07588168e-05 2.27185758e-03] [ 1.52995767e-03 -1.74901250e-04 -1.15078940e-03] [-1.52995767e-03 1.74901139e-04 -1.15078950e-03] [-1.52995775e-03 -1.74901220e-04 1.15078942e-03] [ 1.52995774e-03 1.74901256e-04 1.15078949e-03]] Final stress: [-7.25402478e-06 4.85241575e-06 3.36721770e-06 6.67479432e-14 1.58825888e-14 1.24454894e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-4.51648615e-05 -3.58554697e-04 -3.79413633e-04] [ 4.51648577e-05 3.58554695e-04 -3.79413633e-04] [ 4.51648683e-05 -3.58554704e-04 3.79413642e-04] [-4.51648466e-05 3.58554684e-04 3.79413620e-04] [ 1.08896560e-04 -1.26692494e-03 6.75308085e-04] [-1.08896539e-04 1.26692497e-03 6.75308066e-04] [-1.08896549e-04 -1.26692496e-03 -6.75308080e-04] [ 1.08896546e-04 1.26692497e-03 -6.75308079e-04] [-4.87234374e-04 1.14877091e-03 4.96405840e-04] [-4.87234351e-04 -1.14877092e-03 -4.96405867e-04] [ 4.87234345e-04 -1.14877093e-03 4.96405879e-04] [ 4.87234363e-04 1.14877092e-03 -4.96405863e-04] [-3.92561705e-04 -3.75278560e-04 3.15880559e-04] [ 3.92561693e-04 -3.75278554e-04 -3.15880569e-04] [-3.92561715e-04 3.75278555e-04 -3.15880556e-04] [ 3.92561735e-04 3.75278579e-04 3.15880543e-04] [-1.05525575e-03 2.46926244e-05 1.29175952e-03] [ 1.05525578e-03 -2.46926165e-05 1.29175954e-03] [ 1.05525573e-03 2.46925974e-05 -1.29175953e-03] [-1.05525578e-03 -2.46926160e-05 -1.29175951e-03] [-5.35148787e-04 4.75987636e-04 8.08279208e-04] [ 5.35148767e-04 -4.75987639e-04 8.08279203e-04] [ 5.35148770e-04 4.75987652e-04 -8.08279188e-04] [-5.35148771e-04 -4.75987637e-04 -8.08279197e-04]] Final stress: [-2.94455047e-06 -6.78203256e-06 -7.62136211e-06 3.69353469e-14 -3.41428783e-14 -2.69680943e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 5.61091140e-05 3.41862490e-04 -2.57746268e-05] [-5.61091159e-05 -3.41862497e-04 -2.57746210e-05] [-5.61091147e-05 3.41862492e-04 2.57746209e-05] [ 5.61091037e-05 -3.41862484e-04 2.57746339e-05] [-7.99355920e-05 1.26087892e-03 -3.70894889e-04] [ 7.99355931e-05 -1.26087891e-03 -3.70894910e-04] [ 7.99355855e-05 1.26087894e-03 3.70894893e-04] [-7.99355964e-05 -1.26087892e-03 3.70894932e-04] [-2.83235459e-04 9.25155616e-06 1.37683392e-04] [-2.83235464e-04 -9.25155291e-06 -1.37683386e-04] [ 2.83235480e-04 -9.25153869e-06 1.37683373e-04] [ 2.83235473e-04 9.25153972e-06 -1.37683364e-04] [-4.29770487e-04 8.79757221e-04 -6.05141513e-04] [ 4.29770525e-04 8.79757194e-04 6.05141539e-04] [-4.29770509e-04 -8.79757187e-04 6.05141525e-04] [ 4.29770462e-04 -8.79757250e-04 -6.05141494e-04] [-9.51668754e-05 7.56494093e-04 -8.81883016e-04] [ 9.51668644e-05 -7.56494115e-04 -8.81883068e-04] [ 9.51668938e-05 7.56494160e-04 8.81883013e-04] [-9.51668762e-05 -7.56494136e-04 8.81883024e-04] [ 4.40082092e-05 3.62687389e-04 -8.33495137e-04] [-4.40082005e-05 -3.62687382e-04 -8.33495098e-04] [-4.40081914e-05 3.62687349e-04 8.33495098e-04] [ 4.40081789e-05 -3.62687372e-04 8.33495079e-04]] Final stress: [ 6.09247576e-06 5.91159988e-06 1.61522593e-05 -7.18290263e-14 4.47713520e-14 7.47508544e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.0014201 -0.00299729 0.0014913 ] [-0.0014201 0.00299729 0.0014913 ] [-0.0014201 -0.00299729 -0.0014913 ] [ 0.0014201 0.00299729 -0.0014913 ] [-0.00267666 -0.00031236 0.00067332] [ 0.00267666 0.00031236 0.00067332] [ 0.00267666 -0.00031236 -0.00067332] [-0.00267666 0.00031236 -0.00067332] [-0.00057687 0.00137998 0.00281168] [-0.00057687 -0.00137998 -0.00281168] [ 0.00057687 -0.00137998 0.00281168] [ 0.00057687 0.00137998 -0.00281168] [-0.00205741 -0.00069149 0.0015363 ] [ 0.00205741 -0.00069149 -0.0015363 ] [-0.00205741 0.00069149 -0.0015363 ] [ 0.00205741 0.00069149 0.0015363 ] [ 0.00060713 -0.00141688 0.00094047] [-0.00060713 0.00141688 0.00094047] [-0.00060713 -0.00141688 -0.00094047] [ 0.00060713 0.00141688 -0.00094047] [ 0.00130776 0.00190544 -0.00330357] [-0.00130776 -0.00190544 -0.00330357] [-0.00130776 0.00190544 0.00330357] [ 0.00130776 -0.00190544 0.00330357]] Final stress: [-4.52947914e-05 2.36819494e-05 -1.05684432e-05 -4.11565563e-15 -1.00748345e-15 6.76649147e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00146774 0.00292044 -0.00153907] [ 0.00146774 -0.00292044 -0.00153907] [ 0.00146774 0.00292044 0.00153907] [-0.00146774 -0.00292044 0.00153907] [ 0.00282196 0.00059735 -0.00105022] [-0.00282196 -0.00059735 -0.00105022] [-0.00282196 0.00059735 0.00105022] [ 0.00282196 -0.00059735 0.00105022] [ 0.00015828 -0.00119863 -0.00249637] [ 0.00015828 0.00119863 0.00249637] [-0.00015828 0.00119863 -0.00249637] [-0.00015828 -0.00119863 0.00249637] [ 0.00233955 0.00029903 -0.0013849 ] [-0.00233955 0.00029903 0.0013849 ] [ 0.00233955 -0.00029903 0.0013849 ] [-0.00233955 -0.00029903 -0.0013849 ] [-0.00052106 0.00149433 -0.00084407] [ 0.00052106 -0.00149433 -0.00084407] [ 0.00052106 0.00149433 0.00084407] [-0.00052106 -0.00149433 0.00084407] [-0.00134942 -0.00196867 0.00322818] [ 0.00134942 0.00196867 0.00322818] [ 0.00134942 -0.00196867 -0.00322818] [-0.00134942 0.00196867 -0.00322818]] Final stress: [ 2.31899514e-05 -4.46859716e-05 -1.05413917e-05 -1.74107403e-14 -2.79829680e-15 1.67602314e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-5.78929867e-05 -3.52228128e-04 2.04386913e-05] [ 5.78929741e-05 3.52228118e-04 2.04387036e-05] [ 5.78929997e-05 -3.52228144e-04 -2.04386805e-05] [-5.78929960e-05 3.52228139e-04 -2.04386819e-05] [ 1.34804355e-04 -1.25935466e-03 4.35570944e-04] [-1.34804359e-04 1.25935466e-03 4.35570947e-04] [-1.34804387e-04 -1.25935462e-03 -4.35570960e-04] [ 1.34804385e-04 1.25935463e-03 -4.35570966e-04] [ 3.09652827e-04 1.37535817e-05 -1.32381284e-04] [ 3.09652790e-04 -1.37535715e-05 1.32381301e-04] [-3.09652814e-04 -1.37535722e-05 -1.32381291e-04] [-3.09652798e-04 1.37535717e-05 1.32381301e-04] [ 4.61853118e-04 -9.53145764e-04 6.52708960e-04] [-4.61853101e-04 -9.53145782e-04 -6.52708941e-04] [ 4.61853102e-04 9.53145795e-04 -6.52708942e-04] [-4.61853104e-04 9.53145786e-04 6.52708946e-04] [ 1.22666201e-04 -8.62488942e-04 9.45083128e-04] [-1.22666207e-04 8.62488926e-04 9.45083122e-04] [-1.22666174e-04 -8.62488902e-04 -9.45083125e-04] [ 1.22666172e-04 8.62488894e-04 -9.45083135e-04] [-5.49029129e-05 -3.48683986e-04 9.01229724e-04] [ 5.49029222e-05 3.48683977e-04 9.01229705e-04] [ 5.49028789e-05 -3.48684002e-04 -9.01229732e-04] [-5.49028846e-05 3.48683999e-04 -9.01229733e-04]] Final stress: [-5.46319238e-06 -5.66385994e-06 -1.60584929e-05 5.87867970e-15 7.53935433e-15 9.03789721e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 3.39957077e-04 -2.62518916e-05 5.49527636e-05] [-3.39957061e-04 2.62519074e-05 5.49527468e-05] [-3.39957080e-04 -2.62518882e-05 -5.49527665e-05] [ 3.39957080e-04 2.62518875e-05 -5.49527647e-05] [ 9.27285109e-06 1.40341420e-04 -2.82946572e-04] [-9.27282746e-06 -1.40341379e-04 -2.82946615e-04] [-9.27281644e-06 1.40341368e-04 2.82946603e-04] [ 9.27281214e-06 -1.40341352e-04 2.82946637e-04] [ 8.78450377e-04 -6.06006080e-04 -4.28078602e-04] [ 8.78450383e-04 6.06006091e-04 4.28078606e-04] [-8.78450378e-04 6.06006080e-04 -4.28078588e-04] [-8.78450361e-04 -6.06006098e-04 4.28078628e-04] [ 1.25860852e-03 -3.70889534e-04 -8.15978795e-05] [-1.25860846e-03 -3.70889557e-04 8.15979128e-05] [ 1.25860851e-03 3.70889537e-04 8.15978737e-05] [-1.25860850e-03 3.70889553e-04 -8.15978846e-05] [ 7.59781622e-04 -8.84437471e-04 -9.57792820e-05] [-7.59781649e-04 8.84437471e-04 -9.57793147e-05] [-7.59781644e-04 -8.84437511e-04 9.57792617e-05] [ 7.59781604e-04 8.84437487e-04 9.57792850e-05] [ 3.60017758e-04 -8.32594982e-04 4.70362191e-05] [-3.60017786e-04 8.32594964e-04 4.70362569e-05] [-3.60017753e-04 -8.32594970e-04 -4.70362349e-05] [ 3.60017719e-04 8.32594948e-04 -4.70362913e-05]] Final stress: [ 5.89583554e-06 1.61355832e-05 6.07658118e-06 4.87542248e-14 3.45147174e-14 -3.37272255e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.00292045 -0.00153943 -0.00146746] [-0.00292045 0.00153943 -0.00146746] [-0.00292045 -0.00153943 0.00146746] [ 0.00292045 0.00153943 0.00146746] [-0.00119856 -0.00249686 0.00015846] [ 0.00119856 0.00249686 0.00015846] [ 0.00119856 -0.00249686 -0.00015846] [-0.00119856 0.00249686 -0.00015846] [ 0.00029905 -0.00138549 0.00234006] [ 0.00029905 0.00138549 -0.00234006] [-0.00029905 0.00138549 0.00234006] [-0.00029905 -0.00138549 -0.00234006] [ 0.00059743 -0.00105053 0.00282253] [-0.00059743 -0.00105053 -0.00282253] [ 0.00059743 0.00105053 -0.00282253] [-0.00059743 0.00105053 0.00282253] [ 0.00149452 -0.00084408 -0.00052131] [-0.00149452 0.00084408 -0.00052131] [-0.00149452 -0.00084408 0.00052131] [ 0.00149452 0.00084408 0.00052131] [-0.00196892 0.00322854 -0.00134954] [ 0.00196892 -0.00322854 -0.00134954] [ 0.00196892 0.00322854 0.00134954] [-0.00196892 -0.00322854 0.00134954]] Final stress: [-4.46886751e-05 -1.05424874e-05 2.31904601e-05 1.46300890e-14 4.90460253e-15 -6.89552752e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00299522 0.00149041 0.00141905] [ 0.00299522 -0.00149041 0.00141905] [ 0.00299522 0.00149041 -0.00141905] [-0.00299522 -0.00149041 -0.00141905] [ 0.00137893 0.00280975 -0.00057661] [-0.00137893 -0.00280975 -0.00057661] [-0.00137893 0.00280975 0.00057661] [ 0.00137893 -0.00280975 0.00057661] [-0.00069095 0.00153553 -0.00205613] [-0.00069095 -0.00153553 0.00205613] [ 0.00069095 -0.00153553 -0.00205613] [ 0.00069095 0.00153553 0.00205613] [-0.00031204 0.00067297 -0.002675 ] [ 0.00031204 0.00067297 0.002675 ] [-0.00031204 -0.00067297 0.002675 ] [ 0.00031204 -0.00067297 -0.002675 ] [-0.00141585 0.00093978 0.00060688] [ 0.00141585 -0.00093978 0.00060688] [ 0.00141585 0.00093978 -0.00060688] [-0.00141585 -0.00093978 -0.00060688] [ 0.00190404 -0.00330118 0.00130676] [-0.00190404 0.00330118 0.00130676] [-0.00190404 -0.00330118 -0.00130676] [ 0.00190404 0.00330118 -0.00130676]] Final stress: [ 2.36632636e-05 -1.05616366e-05 -4.52620809e-05 2.63148925e-15 -1.24298796e-14 -3.16269017e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-3.48844178e-04 2.29140786e-05 -5.65671839e-05] [ 3.48844183e-04 -2.29140692e-05 -5.65671929e-05] [ 3.48844195e-04 2.29140585e-05 5.65672044e-05] [-3.48844170e-04 -2.29140847e-05 5.65671780e-05] [ 1.19342242e-05 -1.32298949e-04 3.02760991e-04] [-1.19342203e-05 1.32298950e-04 3.02760984e-04] [-1.19342268e-05 -1.32298939e-04 -3.02760983e-04] [ 1.19342241e-05 1.32298949e-04 -3.02760988e-04] [-9.44939691e-04 6.47068059e-04 4.60336517e-04] [-9.44939706e-04 -6.47068044e-04 -4.60336491e-04] [ 9.44939669e-04 -6.47068080e-04 4.60336546e-04] [ 9.44939680e-04 6.47068076e-04 -4.60336538e-04] [-1.24111883e-03 4.30495568e-04 1.38348097e-04] [ 1.24111884e-03 4.30495543e-04 -1.38348087e-04] [-1.24111886e-03 -4.30495545e-04 -1.38348080e-04] [ 1.24111887e-03 -4.30495520e-04 1.38348074e-04] [-8.58486451e-04 9.30972971e-04 1.20055125e-04] [ 8.58486478e-04 -9.30972971e-04 1.20055148e-04] [ 8.58486468e-04 9.30972951e-04 -1.20055165e-04] [-8.58486479e-04 -9.30972988e-04 -1.20055131e-04] [-3.35750580e-04 8.90287666e-04 -5.91589913e-05] [ 3.35750557e-04 -8.90287715e-04 -5.91590291e-05] [ 3.35750559e-04 8.90287698e-04 5.91589987e-05] [-3.35750560e-04 -8.90287664e-04 5.91589961e-05]] Final stress: [-5.82833969e-06 -1.60099559e-05 -5.63164404e-06 5.23609878e-14 -9.66535895e-15 2.51025622e-14] Minimization converged after 103 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 74 steps. Final forces: [[ 0.00499662 0.0053156 -0.0049056 ] [-0.00377354 0.00258089 0.00054963] [-0.00377351 -0.00258091 -0.0005496 ] [ 0.00499664 -0.00531561 0.00490558] [ 0.00261186 0.00985758 -0.00132237] [-0.00082284 0.01275683 0.00030814] [-0.00082287 -0.0127568 -0.00030815] [ 0.00261185 -0.00985758 0.00132236] [ 0.00778016 -0.00885803 -0.00449176] [ 0.00778018 0.00885802 0.00449175] [-0.00269979 -0.0042926 0.00424416] [-0.00269977 0.00429261 -0.00424416] [-0.01007734 -0.01219418 -0.00529238] [-0.00249425 0.00741032 -0.0106643 ] [-0.01007738 0.01219421 0.00529241] [-0.00249423 -0.00741031 0.01066429] [-0.00546365 -0.00196397 0.00987794] [ 0.00993333 -0.00730886 0.0135103 ] [ 0.00993328 0.00730887 -0.0135103 ] [-0.0054637 0.00196394 -0.00987794] [-0.00250705 -0.01111299 0.00766186] [ 0.00251651 0.0070461 0.00742901] [ 0.00251651 -0.0070461 -0.00742903] [-0.00250705 0.01111298 -0.00766184]] Final stress: [ 1.21976835e-02 3.65810246e-03 3.54728878e-03 -6.20260827e-07 -4.30058315e-11 4.59566592e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 75 steps. Final forces: [[ 0.00269017 -0.00585478 -0.00769856] [-0.02024323 -0.01994367 0.00355131] [-0.02024322 0.01994366 -0.00355131] [ 0.00269017 0.00585478 0.00769856] [ 0.01529333 -0.02429579 -0.00076846] [-0.00387255 -0.00375041 0.00076557] [-0.00387256 0.00375041 -0.00076557] [ 0.01529333 0.02429579 0.00076846] [ 0.0131372 0.0100726 0.00929863] [ 0.0131372 -0.01007259 -0.00929862] [-0.00785015 0.01887927 -0.01344271] [-0.00785015 -0.01887928 0.01344272] [ 0.01172495 0.00821921 0.02489146] [ 0.01885666 -0.00835089 0.0007141 ] [ 0.01172496 -0.00821921 -0.02489146] [ 0.01885666 0.0083509 -0.00071411] [-0.02539421 0.02406467 0.03009562] [-0.01010243 -0.01155541 0.02899525] [-0.01010244 0.0115554 -0.02899525] [-0.02539421 -0.02406467 -0.03009562] [-0.00689052 0.00186003 0.00696376] [ 0.01265078 0.04240087 0.00170399] [ 0.01265076 -0.04240087 -0.001704 ] [-0.0068905 -0.00186003 -0.00696376]] Final stress: [ 1.19694662e-02 3.64541988e-03 3.49759102e-03 5.78991073e-05 -2.86257166e-12 1.20214931e-11] Minimization converged after 107 steps. Minimization converged after 106 steps. Minimization converged after 87 steps. Minimization converged after 88 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 86 steps. Minimization converged after 87 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.01107715 0.00752445 0.01054927] [-0.01107715 -0.00752445 0.01054927] [-0.01107715 0.00752445 -0.01054927] [ 0.01107715 -0.00752445 -0.01054927] [-0.00011335 0.00755269 0.00446627] [ 0.00011335 -0.00755269 0.00446627] [ 0.00011335 0.00755269 -0.00446627] [-0.00011335 -0.00755269 -0.00446627] [-0.00550581 -0.00154642 0.01689135] [-0.00550581 0.00154642 -0.01689135] [ 0.00550581 0.00154642 0.01689135] [ 0.00550581 -0.00154642 -0.01689135] [-0.00100842 0.00392906 -0.01149976] [ 0.00100842 0.00392906 0.01149976] [-0.00100842 -0.00392906 0.01149976] [ 0.00100842 -0.00392906 -0.01149976] [-0.01193022 0.00424848 0.00105697] [ 0.01193022 -0.00424848 0.00105697] [ 0.01193022 0.00424848 -0.00105697] [-0.01193022 -0.00424848 -0.00105697] [-0.01100623 -0.00248573 -0.01422642] [ 0.01100623 0.00248572 -0.01422642] [ 0.01100623 -0.00248572 0.01422642] [-0.01100623 0.00248573 0.01422642]] Final stress: [-2.93124598e-05 -2.31318299e-04 -1.70834175e-05 9.43069382e-13 5.40482661e-13 1.97581020e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00556953 -0.00567017 -0.00668303] [ 0.00556953 0.00567017 -0.00668303] [ 0.00556953 -0.00567017 0.00668303] [-0.00556953 0.00567017 0.00668303] [ 0.00411498 -0.00538792 0.0009719 ] [-0.00411498 0.00538792 0.0009719 ] [-0.00411498 -0.00538792 -0.0009719 ] [ 0.00411498 0.00538792 -0.0009719 ] [ 0.01341357 0.0017285 -0.01606416] [ 0.01341357 -0.0017285 0.01606416] [-0.01341357 -0.0017285 -0.01606416] [-0.01341357 0.0017285 0.01606416] [ 0.00292366 -0.00836115 0.00864174] [-0.00292366 -0.00836115 -0.00864174] [ 0.00292366 0.00836115 -0.00864174] [-0.00292366 0.00836115 0.00864174] [ 0.01304944 -0.0059605 0.00304546] [-0.01304944 0.0059605 0.00304546] [-0.01304944 -0.0059605 -0.00304546] [ 0.01304944 0.0059605 -0.00304546] [ 0.00984622 -0.00359171 0.00304087] [-0.00984622 0.00359171 0.00304087] [-0.00984622 -0.00359171 -0.00304087] [ 0.00984622 0.00359171 -0.00304087]] Final stress: [ 1.52286776e-04 2.57359239e-04 1.66464065e-04 3.55858173e-13 -3.20884042e-13 -7.62336214e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-2.63067767e-05 5.54107858e-05 3.40737558e-04] [ 2.63067831e-05 -5.54107794e-05 3.40737548e-04] [ 2.63068036e-05 5.54107597e-05 -3.40737534e-04] [-2.63067924e-05 -5.54107707e-05 -3.40737543e-04] [-6.05205917e-04 -4.28438660e-04 8.79570745e-04] [ 6.05205937e-04 4.28438693e-04 8.79570716e-04] [ 6.05205908e-04 -4.28438647e-04 -8.79570751e-04] [-6.05205911e-04 4.28438654e-04 -8.79570742e-04] [-3.72253687e-04 -8.15879754e-05 1.25856679e-03] [-3.72253731e-04 8.15880031e-05 -1.25856675e-03] [ 3.72253679e-04 8.15879645e-05 1.25856681e-03] [ 3.72253718e-04 -8.15879901e-05 -1.25856677e-03] [ 1.40361409e-04 -2.82659590e-04 1.03478630e-05] [-1.40361418e-04 -2.82659590e-04 -1.03478647e-05] [ 1.40361413e-04 2.82659603e-04 -1.03478638e-05] [-1.40361397e-04 2.82659608e-04 1.03478563e-05] [-8.84282090e-04 -9.55830738e-05 7.59776606e-04] [ 8.84282100e-04 9.55830580e-05 7.59776617e-04] [ 8.84282112e-04 -9.55830724e-05 -7.59776641e-04] [-8.84282121e-04 9.55830442e-05 -7.59776611e-04] [-8.32656326e-04 4.63537422e-05 3.60342273e-04] [ 8.32656320e-04 -4.63537584e-05 3.60342268e-04] [ 8.32656270e-04 4.63537227e-05 -3.60342279e-04] [-8.32656286e-04 -4.63537306e-05 -3.60342306e-04]] Final stress: [1.61184755e-05 6.08100025e-06 5.90012215e-06 3.50816531e-14 2.97900823e-14 7.49410513e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.00149131 0.00141975 -0.00299697] [-0.00149131 -0.00141975 -0.00299697] [-0.00149131 0.00141975 0.00299697] [ 0.00149131 -0.00141975 0.00299697] [ 0.0015365 -0.00205738 -0.0006915 ] [-0.0015365 0.00205738 -0.0006915 ] [-0.0015365 -0.00205738 0.0006915 ] [ 0.0015365 0.00205738 0.0006915 ] [ 0.00067328 -0.00267665 -0.00031232] [ 0.00067328 0.00267665 0.00031232] [-0.00067328 0.00267665 -0.00031232] [-0.00067328 -0.00267665 0.00031232] [ 0.0028116 -0.00057681 0.00137978] [-0.0028116 -0.00057681 -0.00137978] [ 0.0028116 0.00057681 -0.00137978] [-0.0028116 0.00057681 0.00137978] [ 0.00094029 0.00060735 -0.00141694] [-0.00094029 -0.00060735 -0.00141694] [-0.00094029 0.00060735 0.00141694] [ 0.00094029 -0.00060735 0.00141694] [-0.00330354 0.00130782 0.00190533] [ 0.00330354 -0.00130782 0.00190533] [ 0.00330354 0.00130782 -0.00190533] [-0.00330354 -0.00130782 -0.00190533]] Final stress: [-1.05678643e-05 -4.52906700e-05 2.36790853e-05 -3.18631404e-15 -1.99268022e-16 -1.90986195e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00153714 -0.00146647 0.00291754] [ 0.00153714 0.00146647 0.00291754] [ 0.00153714 -0.00146647 -0.00291754] [-0.00153714 0.00146647 -0.00291754] [-0.00138304 0.00233673 0.00029857] [ 0.00138304 -0.00233673 0.00029857] [ 0.00138304 0.00233673 -0.00029857] [-0.00138304 -0.00233673 -0.00029857] [-0.00104894 0.00281855 0.00059649] [-0.00104894 -0.00281855 -0.00059649] [ 0.00104894 -0.00281855 0.00059649] [ 0.00104894 0.00281855 -0.00059649] [-0.00249331 0.00015832 -0.0011974 ] [ 0.00249331 0.00015832 0.0011974 ] [-0.00249331 -0.00015832 0.0011974 ] [ 0.00249331 -0.00015832 -0.0011974 ] [-0.00084291 -0.00052025 0.00149261] [ 0.00084291 0.00052025 0.00149261] [ 0.00084291 -0.00052025 -0.00149261] [-0.00084291 0.00052025 -0.00149261] [ 0.00322392 -0.00134764 -0.00196617] [-0.00322392 0.00134764 -0.00196617] [-0.00322392 -0.00134764 0.00196617] [ 0.00322392 0.00134764 0.00196617]] Final stress: [-1.05298438e-05 2.31634342e-05 -4.46358963e-05 9.68824006e-15 -1.95668650e-14 4.54968792e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.98804632e-05 -5.78776651e-05 -3.53621433e-04] [-1.98804673e-05 5.78776589e-05 -3.53621428e-04] [-1.98804660e-05 -5.78776584e-05 3.53621427e-04] [ 1.98804634e-05 5.78776616e-05 3.53621431e-04] [ 6.56926022e-04 4.63095524e-04 -9.56245795e-04] [-6.56926031e-04 -4.63095538e-04 -9.56245784e-04] [-6.56926023e-04 4.63095523e-04 9.56245793e-04] [ 6.56926023e-04 -4.63095525e-04 9.56245799e-04] [ 4.37083039e-04 1.32507900e-04 -1.27161695e-03] [ 4.37083046e-04 -1.32507912e-04 1.27161694e-03] [-4.37083030e-04 -1.32507898e-04 -1.27161696e-03] [-4.37083034e-04 1.32507897e-04 1.27161696e-03] [-1.31853438e-04 3.14687880e-04 1.60662369e-05] [ 1.31853440e-04 3.14687881e-04 -1.60662357e-05] [-1.31853436e-04 -3.14687885e-04 -1.60662383e-05] [ 1.31853443e-04 -3.14687893e-04 1.60662347e-05] [ 9.51981384e-04 1.24717510e-04 -8.62923306e-04] [-9.51981391e-04 -1.24717504e-04 -8.62923315e-04] [-9.51981397e-04 1.24717517e-04 8.62923322e-04] [ 9.51981393e-04 -1.24717497e-04 8.62923301e-04] [ 9.07433195e-04 -5.31336631e-05 -3.55909155e-04] [-9.07433200e-04 5.31336797e-05 -3.55909145e-04] [-9.07433197e-04 -5.31336652e-05 3.55909156e-04] [ 9.07433198e-04 5.31336703e-05 3.55909155e-04]] Final stress: [-1.61096526e-05 -5.34639530e-06 -5.54895910e-06 -2.32304355e-14 -2.28059435e-14 -1.41397881e-14] Minimization converged after 102 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 3.63973310e-04 9.34580518e-05 2.21830866e-03] [-1.49230333e-03 2.70745946e-03 2.23732727e-03] [-1.49230333e-03 -2.70745946e-03 -2.23732727e-03] [ 3.63973318e-04 -9.34580581e-05 -2.21830867e-03] [-2.10843854e-03 1.66583448e-03 1.81117502e-03] [ 3.76271810e-03 1.65638159e-03 -1.38333178e-03] [ 3.76271811e-03 -1.65638159e-03 1.38333179e-03] [-2.10843855e-03 -1.66583446e-03 -1.81117501e-03] [-6.46558350e-04 2.03095368e-03 -6.93009196e-05] [-6.46558335e-04 -2.03095368e-03 6.93009200e-05] [-1.26533840e-03 1.33676116e-03 -2.67259461e-03] [-1.26533840e-03 -1.33676115e-03 2.67259460e-03] [ 2.32756880e-03 9.39414101e-04 3.08738947e-04] [ 8.47772745e-04 1.31266578e-04 -1.60224533e-03] [ 2.32756878e-03 -9.39414086e-04 -3.08738935e-04] [ 8.47772765e-04 -1.31266559e-04 1.60224532e-03] [-7.61175064e-04 4.85335593e-03 2.09522670e-04] [-1.71241716e-03 2.66511790e-03 2.02594101e-03] [-1.71241719e-03 -2.66511792e-03 -2.02594101e-03] [-7.61175073e-04 -4.85335594e-03 -2.09522673e-04] [ 1.59604039e-03 1.22885054e-03 -1.53367190e-03] [-9.11842501e-04 2.58731444e-03 -1.69296181e-04] [-9.11842478e-04 -2.58731445e-03 1.69296164e-04] [ 1.59604039e-03 -1.22885057e-03 1.53367192e-03]] Final stress: [-5.15246094e-05 5.08864259e-05 -5.23510483e-05 -9.77029158e-05 -3.33674187e-14 -3.05746628e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 2.83973852e-03 -4.40289838e-03 4.47178354e-03] [-5.25207894e-04 7.91673822e-05 3.25538002e-03] [-5.25207894e-04 -7.91673851e-05 -3.25538002e-03] [ 2.83973851e-03 4.40289839e-03 -4.47178354e-03] [-5.34142828e-03 -1.00575298e-03 -7.51250027e-04] [ 4.01409679e-03 -1.79894706e-03 2.65126660e-03] [ 4.01409679e-03 1.79894707e-03 -2.65126661e-03] [-5.34142829e-03 1.00575299e-03 7.51250037e-04] [ 3.04567429e-03 -2.10461820e-03 -4.03913600e-03] [ 3.04567427e-03 2.10461821e-03 4.03913602e-03] [ 1.53193896e-03 -2.90504309e-03 -7.22722551e-04] [ 1.53193895e-03 2.90504310e-03 7.22722539e-04] [-1.86887856e-03 7.35795299e-04 2.19282276e-03] [-3.18409882e-03 7.95915679e-04 2.31272011e-05] [-1.86887856e-03 -7.35795299e-04 -2.19282276e-03] [-3.18409883e-03 -7.95915686e-04 -2.31271934e-05] [ 1.93195312e-03 -3.91198820e-03 2.20907746e-03] [ 2.19423503e-04 -6.49452752e-03 8.43072294e-04] [ 2.19423515e-04 6.49452752e-03 -8.43072313e-04] [ 1.93195312e-03 3.91198818e-03 -2.20907745e-03] [ 3.96035061e-04 -3.37921445e-03 -2.94070659e-04] [-3.05924668e-03 -2.21832585e-03 -8.92701335e-04] [-3.05924667e-03 2.21832584e-03 8.92701316e-04] [ 3.96035052e-04 3.37921444e-03 2.94070652e-04]] Final stress: [-6.94190230e-05 1.04344541e-04 -7.11103663e-05 1.78510869e-04 1.93589700e-14 -6.34539802e-15] Minimization converged after 104 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 74 steps. Final forces: [[-3.02692111e-03 8.01942930e-03 4.03383091e-03] [-1.20272431e-03 -4.53554398e-03 -3.41087683e-03] [ 3.02689534e-03 8.01945910e-03 -4.03384487e-03] [ 1.20273287e-03 -4.53555142e-03 3.41087236e-03] [-3.67348942e-03 -1.07204171e-02 -9.29637298e-03] [-1.24464810e-02 -2.87438519e-03 6.31764083e-03] [ 3.67350435e-03 -1.07204422e-02 9.29639503e-03] [ 1.24464730e-02 -2.87437926e-03 -6.31763191e-03] [-1.96494873e-03 5.27699978e-03 1.08741719e-02] [-8.30707526e-04 -3.38425793e-03 1.32281484e-02] [ 8.30712289e-04 -3.38425924e-03 -1.32281518e-02] [ 1.96495173e-03 5.27697694e-03 -1.08741593e-02] [ 2.71620301e-05 1.25969709e-02 -7.41040298e-03] [-2.71716361e-05 1.25969896e-02 7.41039841e-03] [-3.56172246e-03 7.24557064e-03 -1.05467565e-03] [ 3.56171695e-03 7.24556810e-03 1.05467877e-03] [ 1.50526691e-02 -1.34323492e-02 -5.03703410e-03] [-1.14643670e-02 4.88666435e-03 3.56143810e-03] [-1.50526695e-02 -1.34323810e-02 5.03702729e-03] [ 1.14643707e-02 4.88669647e-03 -3.56144758e-03] [-4.77340677e-04 -6.20236344e-03 -1.08776860e-02] [-5.44549004e-03 3.12370881e-03 -3.63950991e-03] [ 4.77363109e-04 -6.20239051e-03 1.08776840e-02] [ 5.44548198e-03 3.12368656e-03 3.63950788e-03]] Final stress: [ 3.53698236e-03 1.21527491e-02 3.65001111e-03 -1.69932395e-11 1.97698055e-05 -2.53854908e-11] Minimization converged after 105 steps. Minimization converged after 108 steps. Minimization converged after 109 steps. Minimization converged after 86 steps. Minimization converged after 86 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 5.69834310e-04 6.40129027e-04 3.90878616e-04] [-5.69834301e-04 -6.40129020e-04 3.90878608e-04] [-5.69834299e-04 6.40129014e-04 -3.90878607e-04] [ 5.69834288e-04 -6.40129006e-04 -3.90878596e-04] [-6.76273682e-04 -2.94179103e-06 2.16443579e-04] [ 6.76273689e-04 2.94180282e-06 2.16443560e-04] [ 6.76273656e-04 -2.94175156e-06 -2.16443604e-04] [-6.76273658e-04 2.94175648e-06 -2.16443591e-04] [ 1.89337122e-04 4.23131228e-05 4.37223273e-04] [ 1.89337091e-04 -4.23131170e-05 -4.37223267e-04] [-1.89337103e-04 -4.23131134e-05 4.37223264e-04] [-1.89337096e-04 4.23131163e-05 -4.37223262e-04] [ 9.30511443e-04 -3.12576124e-04 -1.03743533e-04] [-9.30511441e-04 -3.12576134e-04 1.03743537e-04] [ 9.30511483e-04 3.12576113e-04 1.03743510e-04] [-9.30511475e-04 3.12576106e-04 -1.03743513e-04] [ 6.69977221e-05 -6.60477130e-04 3.07092201e-04] [-6.69977609e-05 6.60477136e-04 3.07092181e-04] [-6.69977133e-05 -6.60477097e-04 -3.07092183e-04] [ 6.69977342e-05 6.60477103e-04 -3.07092170e-04] [-7.90734833e-04 -6.81305726e-04 -1.28685267e-04] [ 7.90734854e-04 6.81305724e-04 -1.28685241e-04] [ 7.90734792e-04 -6.81305754e-04 1.28685266e-04] [-7.90734823e-04 6.81305742e-04 1.28685239e-04]] Final stress: [2.39114080e-06 1.80904022e-06 6.93511288e-06 5.09091375e-15 6.37732103e-14 5.98764043e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00662255 -0.00552873 -0.00560523] [ 0.00662255 0.00552873 -0.00560523] [ 0.00662255 -0.00552873 0.00560523] [-0.00662255 0.00552873 0.00560523] [ 0.00861405 0.00289466 -0.00828447] [-0.00861405 -0.00289466 -0.00828447] [-0.00861405 0.00289466 0.00828447] [ 0.00861405 -0.00289466 0.00828447] [ 0.00095792 0.00408746 -0.00534402] [ 0.00095792 -0.00408746 0.00534402] [-0.00095792 -0.00408746 -0.00534402] [-0.00095792 0.00408746 0.00534402] [-0.01594398 0.0132935 0.00173747] [ 0.01594398 0.0132935 -0.00173747] [-0.01594398 -0.0132935 -0.00173747] [ 0.01594398 -0.0132935 0.00173747] [ 0.0030114 0.01295251 -0.00592009] [-0.0030114 -0.01295251 -0.00592009] [-0.0030114 0.01295251 0.00592009] [ 0.0030114 -0.01295251 0.00592009] [ 0.0030167 0.00974819 -0.0035757 ] [-0.0030167 -0.00974819 -0.0035757 ] [-0.0030167 0.00974819 0.0035757 ] [ 0.0030167 -0.00974819 0.0035757 ]] Final stress: [ 1.65068054e-04 1.51035721e-04 2.55417445e-04 -9.04526322e-13 -2.00329748e-13 -7.12878687e-13] Minimization converged after 112 steps. Minimization converged after 109 steps. Minimization converged after 87 steps. Minimization converged after 85 steps. Minimization converged after 108 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 2.21900301e-03 3.62472522e-04 9.32612366e-05] [-2.24011480e-03 -1.49562086e-03 -2.70549023e-03] [-2.21900300e-03 3.62472513e-04 -9.32612314e-05] [ 2.24011479e-03 -1.49562085e-03 2.70549023e-03] [ 3.09997766e-04 2.32782778e-03 9.41612820e-04] [-1.60388331e-03 8.46667626e-04 1.30073436e-04] [-3.09997775e-04 2.32782780e-03 -9.41612834e-04] [ 1.60388334e-03 8.46667574e-04 -1.30073469e-04] [ 1.81060345e-03 -2.11076664e-03 1.66585187e-03] [-1.38293581e-03 3.76367701e-03 1.65720574e-03] [ 1.38293581e-03 3.76367702e-03 -1.65720574e-03] [-1.81060342e-03 -2.11076665e-03 -1.66585185e-03] [-7.04158276e-05 -6.49209231e-04 2.03128358e-03] [ 7.04158229e-05 -6.49209231e-04 -2.03128358e-03] [-2.67266302e-03 -1.26795715e-03 1.33657992e-03] [ 2.67266304e-03 -1.26795716e-03 -1.33657993e-03] [ 2.10079420e-04 -7.58654254e-04 4.85654891e-03] [-2.02667998e-03 -1.71000159e-03 -2.66812820e-03] [-2.10079428e-04 -7.58654226e-04 -4.85654889e-03] [ 2.02667997e-03 -1.71000161e-03 2.66812821e-03] [-1.53478832e-03 1.60086202e-03 1.22870292e-03] [ 1.70937306e-04 -9.09297182e-04 -2.58933969e-03] [ 1.53478827e-03 1.60086197e-03 -1.22870291e-03] [-1.70937294e-04 -9.09297178e-04 2.58933969e-03]] Final stress: [-5.23799776e-05 -5.15535211e-05 5.09080160e-05 -1.30764820e-14 -9.77339064e-05 4.05763479e-14] Minimization converged after 85 steps. Minimization converged after 106 steps. Minimization converged after 106 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 75 steps. Final forces: [[ 8.58636402e-03 3.38196252e-05 1.24242127e-02] [-8.58635552e-03 -3.38056663e-05 1.24241961e-02] [ 8.18178040e-03 -2.93829152e-03 -7.88047358e-03] [-8.18177900e-03 2.93828700e-03 -7.88048225e-03] [-1.49811354e-02 -9.01621927e-03 1.34046374e-02] [ 1.49811384e-02 9.01622801e-03 1.34046230e-02] [-2.87297507e-03 -2.13832258e-03 2.40337566e-03] [ 2.87298058e-03 2.13831469e-03 2.40336626e-03] [-5.18770482e-03 3.79839600e-03 -1.24983120e-02] [ 1.16762960e-02 -1.96740092e-02 -1.74460385e-03] [ 5.18769619e-03 -3.79840054e-03 -1.24982985e-02] [-1.16763056e-02 1.96740150e-02 -1.74461535e-03] [ 1.36982670e-02 -2.44401506e-03 5.63946055e-03] [ 1.57699618e-02 -7.39170635e-04 2.80490190e-03] [-1.57699656e-02 7.39172691e-04 2.80490961e-03] [-1.36982806e-02 2.44400840e-03 5.63947788e-03] [-5.04423036e-03 2.10036359e-02 -1.26601163e-02] [ 5.04423175e-03 -2.10036366e-02 -1.26600880e-02] [-9.12975731e-03 2.59899658e-02 1.09888075e-02] [ 9.12976987e-03 -2.59899667e-02 1.09888370e-02] [-1.65814169e-02 -3.06412368e-03 -1.14786695e-02] [ 1.65814178e-02 3.06411993e-03 -1.14786618e-02] [-1.65707781e-03 5.87913931e-04 -1.40323865e-03] [ 1.65708029e-03 -5.87915578e-04 -1.40324575e-03]] Final stress: [ 3.79958540e-03 3.64018197e-03 1.22573372e-02 2.44327140e-11 3.13475882e-12 -1.40293442e-05] Minimization converged after 104 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 7.18688228e-05 4.86688021e-02 3.44062378e-02] [-7.18618456e-05 -4.86687968e-02 3.44062315e-02] [-7.18681412e-05 4.86688008e-02 -3.44062367e-02] [ 7.18631492e-05 -4.86687977e-02 -3.44062325e-02] [-1.12566845e-02 1.15946468e-01 -7.91284768e-02] [ 1.12566843e-02 -1.15946468e-01 -7.91284844e-02] [ 1.12566868e-02 1.15946468e-01 7.91284800e-02] [-1.12566842e-02 -1.15946471e-01 7.91284843e-02] [ 7.36240007e-02 -7.82561685e-02 -4.82076628e-02] [ 7.36240026e-02 7.82561655e-02 4.82076570e-02] [-7.36239974e-02 7.82561672e-02 -4.82076595e-02] [-7.36240098e-02 -7.82561613e-02 4.82076528e-02] [ 5.41991790e-02 6.30792371e-02 -9.46591528e-03] [-5.41991705e-02 6.30792285e-02 9.46591950e-03] [ 5.41991896e-02 -6.30792398e-02 9.46590717e-03] [-5.41991961e-02 -6.30792444e-02 -9.46590355e-03] [ 1.49075728e-02 -4.53118055e-02 -1.19963623e-01] [-1.49075880e-02 4.53118136e-02 -1.19963626e-01] [-1.49075748e-02 -4.53118008e-02 1.19963620e-01] [ 1.49075914e-02 4.53118031e-02 1.19963630e-01] [ 5.88327060e-02 -2.10646041e-03 -8.24321361e-02] [-5.88326989e-02 2.10645768e-03 -8.24321243e-02] [-5.88326994e-02 -2.10645866e-03 8.24321387e-02] [ 5.88326885e-02 2.10646120e-03 8.24321223e-02]] Final stress: [5.73862853e-04 1.69900756e-03 1.17530256e-03 4.32398072e-12 2.92541141e-11 2.85703607e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-3.85772145e-05 -9.06627631e-05 -1.49175520e-04] [ 3.85772364e-05 9.06627808e-05 -1.49175541e-04] [ 3.85772162e-05 -9.06627653e-05 1.49175522e-04] [-3.85772314e-05 9.06627741e-05 1.49175533e-04] [ 2.43479268e-04 -3.29786824e-04 3.54989904e-04] [-2.43479276e-04 3.29786813e-04 3.54989878e-04] [-2.43479267e-04 -3.29786826e-04 -3.54989900e-04] [ 2.43479280e-04 3.29786810e-04 -3.54989896e-04] [-6.75200181e-04 1.80850845e-04 -3.19328292e-04] [-6.75200199e-04 -1.80850843e-04 3.19328290e-04] [ 6.75200187e-04 -1.80850853e-04 -3.19328273e-04] [ 6.75200176e-04 1.80850854e-04 3.19328274e-04] [ 3.58117173e-04 3.98294010e-05 4.62868518e-04] [-3.58117197e-04 3.98294125e-05 -4.62868535e-04] [ 3.58117253e-04 -3.98294532e-05 -4.62868571e-04] [-3.58117243e-04 -3.98294448e-05 4.62868566e-04] [-8.87043819e-04 -3.04554578e-04 7.86344080e-04] [ 8.87043769e-04 3.04554609e-04 7.86344081e-04] [ 8.87043821e-04 -3.04554586e-04 -7.86344091e-04] [-8.87043758e-04 3.04554616e-04 -7.86344047e-04] [-7.39283969e-05 4.69877271e-04 -2.66961523e-04] [ 7.39284270e-05 -4.69877268e-04 -2.66961488e-04] [ 7.39283879e-05 4.69877280e-04 2.66961543e-04] [-7.39284108e-05 -4.69877261e-04 2.66961486e-04]] Final stress: [-1.14489184e-05 -7.24812113e-08 -1.92655409e-07 2.51647525e-14 7.80757319e-14 -2.27871815e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00402414 0.00891415 0.00199491] [-0.00402414 -0.00891415 0.00199491] [-0.00402414 0.00891415 -0.00199491] [ 0.00402414 -0.00891415 -0.00199491] [-0.00873587 0.01276651 -0.01267655] [ 0.00873587 -0.01276651 -0.01267655] [ 0.00873587 0.01276651 0.01267655] [-0.00873587 -0.01276651 0.01267655] [ 0.00454026 0.00386299 0.00684383] [ 0.00454026 -0.00386299 -0.00684383] [-0.00454026 -0.00386299 0.00684383] [-0.00454026 0.00386299 -0.00684383] [-0.00947848 0.02866073 -0.01161834] [ 0.00947848 0.02866073 0.01161834] [-0.00947848 -0.02866073 0.01161834] [ 0.00947848 -0.02866073 -0.01161834] [ 0.00118077 0.02879083 -0.02219178] [-0.00118077 -0.02879083 -0.02219178] [-0.00118077 0.02879083 0.02219178] [ 0.00118077 -0.02879083 0.02219177] [ 0.0047404 0.0052132 -0.01290401] [-0.0047404 -0.0052132 -0.01290401] [-0.0047404 0.0052132 0.01290401] [ 0.0047404 -0.0052132 0.01290401]] Final stress: [ 3.99583004e-05 2.57363909e-05 2.00703335e-04 1.73354189e-12 -1.68344104e-12 1.18713543e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.49416721e-04 -4.01480668e-04 2.25805489e-04] [-2.49416693e-04 4.01480695e-04 2.25805456e-04] [-2.49416699e-04 -4.01480691e-04 -2.25805465e-04] [ 2.49416694e-04 4.01480690e-04 -2.25805466e-04] [-3.47699765e-04 -5.25018694e-06 1.29597444e-04] [ 3.47699784e-04 5.25021782e-06 1.29597389e-04] [ 3.47699743e-04 -5.25016210e-06 -1.29597439e-04] [-3.47699754e-04 5.25018563e-06 -1.29597426e-04] [-7.09276328e-05 1.96310824e-04 3.25677497e-04] [-7.09277117e-05 -1.96310781e-04 -3.25677435e-04] [ 7.09276165e-05 -1.96310848e-04 3.25677544e-04] [ 7.09276626e-05 1.96310822e-04 -3.25677493e-04] [-2.92703309e-04 -6.62668544e-05 2.22166541e-04] [ 2.92703262e-04 -6.62668392e-05 -2.22166567e-04] [-2.92703238e-04 6.62668169e-05 -2.22166579e-04] [ 2.92703239e-04 6.62668343e-05 2.22166588e-04] [ 1.27000009e-04 -7.40612170e-05 2.03004696e-04] [-1.27000021e-04 7.40612202e-05 2.03004723e-04] [-1.26999941e-04 -7.40612358e-05 -2.03004768e-04] [ 1.27000003e-04 7.40612210e-05 -2.03004679e-04] [ 7.48777290e-05 1.96960606e-04 -3.97187298e-04] [-7.48776780e-05 -1.96960659e-04 -3.97187281e-04] [-7.48777776e-05 1.96960610e-04 3.97187293e-04] [ 7.48777562e-05 -1.96960602e-04 3.97187233e-04]] Final stress: [-3.12517514e-06 -8.94638348e-07 -1.88361221e-06 6.68411968e-14 1.05126721e-13 8.42226207e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.26326804e-04 4.67306079e-04 -1.61559161e-04] [ 2.26326826e-04 -4.67306060e-04 -1.61559183e-04] [ 2.26326812e-04 4.67306069e-04 1.61559169e-04] [-2.26326825e-04 -4.67306062e-04 1.61559177e-04] [ 3.74638055e-04 5.58965857e-05 -1.04260041e-04] [-3.74638066e-04 -5.58966014e-05 -1.04260060e-04] [-3.74638063e-04 5.58966041e-05 1.04260045e-04] [ 3.74638084e-04 -5.58966338e-05 1.04260030e-04] [ 7.78041594e-05 -1.52756305e-04 -2.95099769e-04] [ 7.78041514e-05 1.52756294e-04 2.95099754e-04] [-7.78041619e-05 1.52756288e-04 -2.95099740e-04] [-7.78041853e-05 -1.52756273e-04 2.95099718e-04] [ 2.60689078e-04 2.19681578e-05 -1.53503965e-04] [-2.60689073e-04 2.19681334e-05 1.53503966e-04] [ 2.60689111e-04 -2.19681695e-05 1.53503942e-04] [-2.60689136e-04 -2.19681908e-05 -1.53503926e-04] [ 2.91800163e-05 2.54045430e-04 -2.17077908e-05] [-2.91800547e-05 -2.54045392e-04 -2.17077657e-05] [-2.91799982e-05 2.54045459e-04 2.17077682e-05] [ 2.91800636e-05 -2.54045439e-04 2.17078126e-05] [-2.02080399e-04 -2.50868943e-04 3.29168487e-04] [ 2.02080419e-04 2.50868942e-04 3.29168497e-04] [ 2.02080404e-04 -2.50868943e-04 -3.29168458e-04] [-2.02080414e-04 2.50868971e-04 -3.29168508e-04]] Final stress: [-9.33022079e-08 -3.93131281e-06 -1.89090905e-06 5.02348114e-14 4.78083872e-14 4.32893857e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00064462 -0.00204491 -0.00064199] [ 0.00064463 0.00204491 -0.00064199] [ 0.00064463 -0.00204491 0.00064199] [-0.00064463 0.00204491 0.00064199] [ 0.00018675 -0.00700414 0.00348084] [-0.00018675 0.00700414 0.00348084] [-0.00018675 -0.00700414 -0.00348084] [ 0.00018675 0.00700414 -0.00348084] [ 0.00150697 -0.00036257 -0.00098121] [ 0.00150697 0.00036257 0.00098121] [-0.00150697 0.00036257 -0.00098121] [-0.00150697 -0.00036257 0.00098121] [ 0.00199349 -0.0064317 0.00303433] [-0.00199349 -0.0064317 -0.00303433] [ 0.00199349 0.0064317 -0.00303433] [-0.00199349 0.0064317 0.00303433] [ 0.00046459 -0.00531854 0.0067673 ] [-0.00046459 0.00531854 0.0067673 ] [-0.00046459 -0.00531854 -0.0067673 ] [ 0.00046459 0.00531854 -0.0067673 ] [ 0.000946 -0.0036633 0.00542519] [-0.000946 0.0036633 0.00542519] [-0.000946 -0.0036633 -0.00542519] [ 0.000946 0.0036633 -0.00542519]] Final stress: [ 3.24092677e-05 3.09900756e-05 -4.56011950e-05 6.84410099e-13 4.10950343e-13 1.19267530e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.05148612 0.02919079 0.01822256] [-0.05148612 -0.02919079 0.01822256] [-0.05148612 0.02919079 -0.01822255] [ 0.05148612 -0.02919079 -0.01822256] [ 0.01810305 0.01512399 0.04460902] [-0.01810305 -0.015124 0.04460902] [-0.01810305 0.01512399 -0.04460902] [ 0.01810305 -0.01512399 -0.04460902] [ 0.15972743 -0.06734644 -0.06018388] [ 0.15972743 0.06734644 0.06018388] [-0.15972742 0.06734644 -0.06018388] [-0.15972743 -0.06734643 0.06018387] [ 0.07131287 -0.05014236 -0.03236557] [-0.07131287 -0.05014236 0.03236557] [ 0.07131288 0.05014236 0.03236557] [-0.07131287 0.05014236 -0.03236557] [ 0.135143 -0.13667218 0.00427888] [-0.135143 0.13667219 0.00427888] [-0.135143 -0.13667218 -0.00427887] [ 0.13514301 0.13667218 -0.00427887] [ 0.05278021 -0.07025509 0.02916021] [-0.0527802 0.07025509 0.02916021] [-0.05278021 -0.07025508 -0.02916021] [ 0.0527802 0.07025509 -0.02916021]] Final stress: [ 9.54506416e-04 2.49770517e-03 1.22411303e-03 8.34277124e-12 9.67865060e-12 -5.60761193e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 4.42450391e-04 -1.80553065e-04 -1.89222615e-04] [-4.42450394e-04 1.80553062e-04 -1.89222614e-04] [-4.42450371e-04 -1.80553083e-04 1.89222632e-04] [ 4.42450388e-04 1.80553069e-04 1.89222616e-04] [-1.45782734e-04 -3.11172431e-04 7.10031058e-05] [ 1.45782734e-04 3.11172430e-04 7.10031098e-05] [ 1.45782709e-04 -3.11172405e-04 -7.10031251e-05] [-1.45782700e-04 3.11172384e-04 -7.10031471e-05] [ 5.18399696e-05 -2.03660093e-04 2.97879391e-04] [ 5.18399427e-05 2.03660091e-04 -2.97879386e-04] [-5.18399966e-05 2.03660070e-04 2.97879425e-04] [-5.18399411e-05 -2.03660095e-04 -2.97879390e-04] [ 4.18029591e-05 -1.29920619e-04 4.21110658e-04] [-4.18030215e-05 -1.29920582e-04 -4.21110693e-04] [ 4.18029734e-05 1.29920607e-04 -4.21110662e-04] [-4.18029529e-05 1.29920610e-04 4.21110654e-04] [ 2.13396082e-04 -3.25252297e-05 7.54044317e-05] [-2.13396040e-04 3.25252285e-05 7.54044773e-05] [-2.13396047e-04 -3.25252186e-05 -7.54044431e-05] [ 2.13396036e-04 3.25252322e-05 -7.54044376e-05] [-2.73614705e-04 3.15342670e-04 -1.69104213e-04] [ 2.73614694e-04 -3.15342647e-04 -1.69104228e-04] [ 2.73614640e-04 3.15342649e-04 1.69104223e-04] [-2.73614615e-04 -3.15342636e-04 1.69104232e-04]] Final stress: [-3.05833669e-06 -1.86809417e-06 -9.27804317e-07 4.30539201e-15 -6.08059360e-14 4.72136907e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-4.03492835e-04 2.21905155e-04 2.57283240e-04] [ 4.03492861e-04 -2.21905132e-04 2.57283214e-04] [ 4.03492837e-04 2.21905151e-04 -2.57283235e-04] [-4.03492851e-04 -2.21905142e-04 -2.57283225e-04] [ 2.04565714e-04 3.12144432e-04 -2.98168867e-05] [-2.04565708e-04 -3.12144417e-04 -2.98169321e-05] [-2.04565714e-04 3.12144428e-04 2.98168751e-05] [ 2.04565706e-04 -3.12144414e-04 2.98169072e-05] [-9.66027707e-05 2.17998460e-04 -2.92571591e-04] [-9.66027415e-05 -2.17998492e-04 2.92571527e-04] [ 9.66027550e-05 -2.17998479e-04 -2.92571551e-04] [ 9.66027223e-05 2.17998501e-04 2.92571519e-04] [ 5.83210495e-06 1.21488805e-04 -3.53934373e-04] [-5.83216139e-06 1.21488839e-04 3.53934332e-04] [ 5.83220672e-06 -1.21488875e-04 3.53934299e-04] [-5.83219199e-06 -1.21488859e-04 -3.53934312e-04] [-5.39718760e-05 2.14328235e-04 9.68474826e-05] [ 5.39718550e-05 -2.14328217e-04 9.68474758e-05] [ 5.39718571e-05 2.14328231e-04 -9.68474664e-05] [-5.39717978e-05 -2.14328203e-04 -9.68474061e-05] [ 2.11037654e-04 -4.05921827e-04 7.02959580e-05] [-2.11037607e-04 4.05921815e-04 7.02960212e-05] [-2.11037649e-04 -4.05921793e-04 -7.02958988e-05] [ 2.11037628e-04 4.05921801e-04 -7.02959724e-05]] Final stress: [-1.39121662e-06 -1.85834926e-06 -2.57768620e-06 1.19249455e-14 9.17824106e-14 -7.97375729e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00248096 -0.00082419 -0.00081251] [ 0.00248096 0.00082419 -0.00081251] [ 0.00248096 -0.00082419 0.00081251] [-0.00248096 0.00082419 0.00081251] [-0.0003785 -0.0010456 0.0018078 ] [ 0.0003785 0.0010456 0.0018078 ] [ 0.0003785 -0.0010456 -0.0018078 ] [-0.0003785 0.0010456 -0.0018078 ] [-0.00765866 0.00361784 0.00241519] [-0.00765867 -0.00361784 -0.00241519] [ 0.00765866 -0.00361784 0.00241519] [ 0.00765866 0.00361784 -0.00241519] [-0.00834807 0.00408079 0.00018779] [ 0.00834807 0.00408079 -0.00018779] [-0.00834807 -0.00408079 -0.00018779] [ 0.00834807 -0.00408079 0.00018779] [-0.006292 0.00793028 0.00046451] [ 0.006292 -0.00793028 0.00046451] [ 0.006292 0.00793028 -0.00046451] [-0.006292 -0.00793028 -0.00046451] [-0.00448284 0.00645797 0.00119521] [ 0.00448284 -0.00645797 0.00119521] [ 0.00448284 0.00645797 -0.00119521] [-0.00448284 -0.00645797 -0.00119521]] Final stress: [ 3.94568486e-05 -5.27330222e-05 4.13291493e-05 2.55099203e-13 5.50710352e-13 1.66012550e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 5.74428019e-03 5.17563141e-05 1.08474495e-03] [-6.91913554e-03 1.45919244e-02 -4.37599156e-03] [-6.91913560e-03 -1.45919243e-02 4.37599149e-03] [ 5.74428011e-03 -5.17562559e-05 -1.08474487e-03] [-7.72747162e-03 -3.12308996e-03 1.01484839e-03] [-3.97019055e-03 -7.65102338e-03 -5.27236240e-03] [-3.97019053e-03 7.65102336e-03 5.27236233e-03] [-7.72747158e-03 3.12308990e-03 -1.01484827e-03] [-2.47023169e-03 8.75665370e-03 1.09965037e-02] [-2.47023175e-03 -8.75665370e-03 -1.09965037e-02] [ 2.01571726e-04 5.10012791e-03 1.00596867e-03] [ 2.01571685e-04 -5.10012792e-03 -1.00596862e-03] [-2.97665742e-04 -1.17601822e-03 3.64445642e-03] [ 8.65415727e-03 -7.18556317e-03 -1.62786919e-02] [-2.97665480e-04 1.17601809e-03 -3.64445659e-03] [ 8.65415702e-03 7.18556300e-03 1.62786920e-02] [-9.72703852e-04 2.54603950e-03 -9.24377588e-03] [ 1.13142904e-03 9.09556464e-03 4.74002323e-04] [ 1.13142925e-03 -9.09556451e-03 -4.74002445e-04] [-9.72703642e-04 -2.54603941e-03 9.24377593e-03] [ 3.95852142e-03 -2.29936678e-03 -1.27026674e-03] [ 2.66743934e-03 -6.02242776e-03 5.38527080e-03] [ 2.66743919e-03 6.02242776e-03 -5.38527058e-03] [ 3.95852132e-03 2.29936686e-03 1.27026648e-03]] Final stress: [-2.27007250e-04 1.00436795e-04 3.97044872e-05 -3.80633230e-04 3.59371484e-13 9.93669893e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[ 6.86838442e-03 -1.41047841e-02 -4.05870867e-03] [-5.60209974e-03 3.67667530e-06 7.00408027e-04] [-5.60209980e-03 -3.67661916e-06 -7.00408084e-04] [ 6.86838442e-03 1.41047841e-02 4.05870867e-03] [ 3.97018669e-03 7.97960877e-03 -5.19894668e-03] [ 7.60827906e-03 3.60466019e-03 1.31002695e-03] [ 7.60827912e-03 -3.60466027e-03 -1.31002695e-03] [ 3.97018665e-03 -7.97960872e-03 5.19894673e-03] [ 1.22527252e-04 -4.88965014e-03 6.62092628e-04] [ 1.22527270e-04 4.88965014e-03 -6.62092626e-04] [ 2.18186185e-03 -8.45053475e-03 1.04251982e-02] [ 2.18186182e-03 8.45053474e-03 -1.04251982e-02] [-8.47114112e-03 -6.71566223e-03 1.58111533e-02] [ 4.79667607e-04 -8.65571893e-04 -3.15768211e-03] [-8.47114111e-03 6.71566220e-03 -1.58111533e-02] [ 4.79667491e-04 8.65571851e-04 3.15768218e-03] [-1.25228178e-03 -8.90786955e-03 5.14718650e-04] [ 7.57158647e-04 -2.71917364e-03 -9.08264661e-03] [ 7.57158713e-04 2.71917359e-03 9.08264655e-03] [-1.25228171e-03 8.90786961e-03 -5.14718659e-04] [-2.57865909e-03 6.25226424e-03 5.44513733e-03] [-4.08388377e-03 2.62599371e-03 -1.07662303e-03] [-4.08388367e-03 -2.62599366e-03 1.07662309e-03] [-2.57865921e-03 -6.25226425e-03 -5.44513737e-03]] Final stress: [-2.12665707e-04 1.05888158e-04 4.93136301e-05 3.76075186e-04 1.33526681e-13 -1.34467514e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-1.49458574e-03 5.22734364e-03 2.05507151e-03] [ 2.03975830e-03 7.01638466e-04 -1.21465003e-03] [ 2.03975826e-03 -7.01638426e-04 1.21465000e-03] [-1.49458574e-03 -5.22734364e-03 -2.05507151e-03] [ 8.96900795e-05 -1.60709664e-03 -1.59049066e-03] [-2.12372074e-03 -2.02164634e-04 2.63989251e-04] [-2.12372070e-03 2.02164584e-04 -2.63989221e-04] [ 8.96900231e-05 1.60709671e-03 1.59049072e-03] [-3.44812899e-03 3.16488847e-03 8.19821479e-04] [-3.44812896e-03 -3.16488847e-03 -8.19821472e-04] [-1.67404045e-03 1.70869337e-03 -1.48909071e-03] [-1.67404050e-03 -1.70869335e-03 1.48909069e-03] [ 2.87930451e-03 -1.52702197e-04 -3.11400774e-03] [-6.21508520e-04 2.14741341e-05 2.14123662e-03] [ 2.87930454e-03 1.52702177e-04 3.11400772e-03] [-6.21508604e-04 -2.14741820e-05 -2.14123657e-03] [ 2.20253347e-04 3.03314712e-03 2.67517887e-03] [-1.80960390e-03 -1.44004802e-04 2.71583310e-03] [-1.80960389e-03 1.44004780e-04 -2.71583314e-03] [ 2.20253411e-04 -3.03314710e-03 -2.67517888e-03] [ 2.77703466e-03 1.08043312e-03 -2.35758380e-03] [ 3.16554750e-03 4.82315867e-04 2.10128245e-03] [ 3.16554754e-03 -4.82315847e-04 -2.10128244e-03] [ 2.77703455e-03 -1.08043315e-03 2.35758378e-03]] Final stress: [-3.27535204e-06 -1.11970869e-04 -1.15442117e-04 -1.34423486e-04 1.36050531e-13 -9.04832058e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-1.23302704e-03 6.31416034e-04 2.99236585e-04] [ 1.87493689e-03 -3.84403249e-03 1.20720118e-03] [ 1.87493689e-03 3.84403249e-03 -1.20720119e-03] [-1.23302706e-03 -6.31416026e-04 -2.99236576e-04] [ 1.20145764e-03 -3.31301067e-04 -2.67446252e-05] [-2.92783908e-05 1.19858041e-03 6.46170905e-04] [-2.92783981e-05 -1.19858039e-03 -6.46170916e-04] [ 1.20145764e-03 3.31301051e-04 2.67446136e-05] [ 1.80263533e-03 -1.59332209e-03 -1.42431374e-03] [ 1.80263531e-03 1.59332210e-03 1.42431376e-03] [ 1.90333023e-03 -1.58860582e-03 2.44566882e-04] [ 1.90333022e-03 1.58860582e-03 -2.44566887e-04] [-2.21560548e-05 8.38715580e-04 -1.54294343e-03] [-1.95981483e-03 5.48687188e-04 3.53432259e-03] [-2.21560343e-05 -8.38715579e-04 1.54294342e-03] [-1.95981483e-03 -5.48687205e-04 -3.53432259e-03] [ 2.40404130e-04 -1.20387515e-03 1.46269844e-03] [-6.69575961e-04 -3.09501032e-03 1.21319176e-03] [-6.69575950e-04 3.09501033e-03 -1.21319174e-03] [ 2.40404155e-04 1.20387513e-03 -1.46269842e-03] [-1.72362348e-03 -4.45792720e-04 1.32062425e-03] [-1.38528846e-03 7.03059194e-05 -8.20909309e-04] [-1.38528848e-03 -7.03059408e-05 8.20909298e-04] [-1.72362347e-03 4.45792744e-04 -1.32062424e-03]] Final stress: [ 4.29240190e-05 -4.65072803e-05 -4.86834066e-05 1.12208927e-04 3.50801137e-14 -1.22679854e-14] Minimization converged after 107 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00125667 0.00746086 0.00801917] [ 0.00715018 -0.00476964 -0.00347939] [ 0.00125667 0.00746086 -0.00801917] [-0.00715018 -0.00476964 0.00347939] [-0.000602 0.00054372 0.00219507] [-0.00420787 0.0055112 0.0016053 ] [ 0.000602 0.00054372 -0.00219507] [ 0.00420787 0.0055112 -0.0016053 ] [ 0.00040028 -0.00384341 -0.00363481] [ 0.00119917 -0.00203065 0.00135836] [-0.00119917 -0.00203065 -0.00135836] [-0.00040028 -0.00384341 0.00363481] [ 0.00400523 -0.00276652 -0.00491488] [-0.00400523 -0.00276652 0.00491488] [ 0.00088091 -0.00871265 0.01197739] [-0.00088091 -0.00871265 -0.01197739] [ 0.00144044 0.00226492 0.00946904] [-0.00170296 -0.00240879 -0.00255222] [-0.00144044 0.00226492 -0.00946904] [ 0.00170296 -0.00240879 0.00255222] [-0.00242826 0.00406456 0.00149499] [-0.00427063 0.0046864 0.00239779] [ 0.00242826 0.00406456 -0.00149499] [ 0.00427063 0.0046864 -0.00239779]] Final stress: [ 1.59437774e-04 -7.45351583e-05 -8.35357829e-05 -1.26995669e-13 -2.92023007e-04 1.31222265e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-6.49816127e-04 5.38265122e-04 -4.46015316e-04] [ 1.79010124e-04 -6.86189588e-04 8.46447846e-04] [ 6.49816127e-04 5.38265121e-04 4.46015316e-04] [-1.79010127e-04 -6.86189586e-04 -8.46447844e-04] [ 3.13956227e-04 -6.83939558e-04 8.45578908e-05] [-9.89670535e-05 -1.34228155e-04 -1.02801973e-04] [-3.13956228e-04 -6.83939558e-04 -8.45578887e-05] [ 9.89670527e-05 -1.34228153e-04 1.02801970e-04] [-4.33714963e-05 1.98352412e-04 -8.22309598e-05] [-2.12466953e-04 7.40975003e-05 2.55996949e-04] [ 2.12466952e-04 7.40975011e-05 -2.55996950e-04] [ 4.33714975e-05 1.98352412e-04 8.22309595e-05] [-6.77746242e-05 5.03720235e-04 -1.26160480e-03] [ 6.77746232e-05 5.03720235e-04 1.26160480e-03] [ 7.79066773e-04 3.22362174e-04 6.48411502e-05] [-7.79066772e-04 3.22362174e-04 -6.48411500e-05] [ 1.95375686e-04 4.99389791e-04 1.68423414e-04] [-2.99009990e-04 -1.62432318e-04 1.01457427e-03] [-1.95375684e-04 4.99389793e-04 -1.68423417e-04] [ 2.99009993e-04 -1.62432318e-04 -1.01457427e-03] [ 4.17481647e-04 -1.75929192e-04 -3.70892918e-04] [ 4.88271698e-04 -2.93468428e-04 1.94188133e-04] [-4.17481650e-04 -1.75929190e-04 3.70892920e-04] [-4.88271697e-04 -2.93468428e-04 -1.94188133e-04]] Final stress: [-7.55108919e-07 -2.22567099e-05 -2.23707790e-05 -8.98667147e-15 2.74378030e-05 1.42718455e-15] Minimization converged after 99 steps. Minimization converged after 99 steps. Minimization converged after 79 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00107933 0.00044095 0.00118507] [-0.00107933 -0.00044095 0.00118507] [-0.00107933 0.00044095 -0.00118507] [ 0.00107933 -0.00044095 -0.00118507] [-0.00090792 0.00100706 0.00105371] [ 0.00090792 -0.00100706 0.00105371] [ 0.00090792 0.00100706 -0.00105371] [-0.00090792 -0.00100706 -0.00105371] [-0.00222157 -0.00036983 0.00336227] [-0.00222157 0.00036983 -0.00336227] [ 0.00222157 0.00036983 0.00336227] [ 0.00222157 -0.00036983 -0.00336227] [-0.00064507 0.00262129 -0.00221359] [ 0.00064507 0.00262129 0.00221359] [-0.00064507 -0.00262129 0.00221359] [ 0.00064507 -0.00262129 -0.00221359] [-0.00392992 0.00222229 -0.00017203] [ 0.00392992 -0.00222229 -0.00017203] [ 0.00392992 0.00222229 0.00017203] [-0.00392992 -0.00222229 0.00017203] [-0.00203438 0.00118132 -0.00144915] [ 0.00203438 -0.00118132 -0.00144915] [ 0.00203438 0.00118132 0.00144915] [-0.00203438 -0.00118132 0.00144915]] Final stress: [ 1.71374575e-05 -3.89044962e-06 1.85877762e-05 1.31968258e-13 -1.60167364e-13 4.27980999e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.39976187e-04 -1.65860678e-05 -7.85699148e-05] [ 1.39976185e-04 1.65860637e-05 -7.85699108e-05] [ 1.39976200e-04 -1.65860818e-05 7.85699236e-05] [-1.39976205e-04 1.65860861e-05 7.85699285e-05] [ 4.41997354e-04 3.62567312e-04 2.32295695e-05] [-4.41997366e-04 -3.62567328e-04 2.32295842e-05] [-4.41997399e-04 3.62567377e-04 -2.32296179e-05] [ 4.41997398e-04 -3.62567376e-04 -2.32296128e-05] [ 3.47143081e-04 2.36985821e-04 -3.29104238e-04] [ 3.47143059e-04 -2.36985831e-04 3.29104226e-04] [-3.47143071e-04 -2.36985812e-04 -3.29104253e-04] [-3.47143063e-04 2.36985825e-04 3.29104235e-04] [-3.00964532e-04 -7.01926797e-04 1.86927290e-04] [ 3.00964518e-04 -7.01926798e-04 -1.86927295e-04] [-3.00964514e-04 7.01926799e-04 -1.86927297e-04] [ 3.00964514e-04 7.01926780e-04 1.86927298e-04] [ 7.56173931e-04 -9.07104375e-04 -3.28982278e-04] [-7.56173940e-04 9.07104372e-04 -3.28982292e-04] [-7.56173908e-04 -9.07104314e-04 3.28982321e-04] [ 7.56173927e-04 9.07104335e-04 3.28982306e-04] [-2.25587782e-04 -5.28687658e-05 4.82693026e-04] [ 2.25587797e-04 5.28687770e-05 4.82693037e-04] [ 2.25587743e-04 -5.28687923e-05 -4.82693023e-04] [-2.25587741e-04 5.28687911e-05 -4.82693012e-04]] Final stress: [-1.03702348e-06 -1.24761155e-05 -9.17190438e-07 -3.85225899e-14 6.76116916e-15 6.80210929e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00235819 0.00444617 0.01056306] [-0.00235819 -0.00444617 0.01056306] [-0.00235819 0.00444617 -0.01056306] [ 0.00235819 -0.00444617 -0.01056306] [-0.01472242 -0.01340249 0.03682323] [ 0.01472242 0.01340249 0.03682324] [ 0.01472242 -0.01340249 -0.03682324] [-0.01472242 0.01340249 -0.03682324] [-0.01338715 -0.00923578 0.01716604] [-0.01338715 0.00923577 -0.01716604] [ 0.01338715 0.00923577 0.01716604] [ 0.01338715 -0.00923578 -0.01716604] [ 0.00575648 0.00669676 0.00291051] [-0.00575648 0.00669676 -0.00291051] [ 0.00575648 -0.00669676 -0.00291051] [-0.00575648 -0.00669676 0.00291051] [-0.02425755 0.00281145 0.03378732] [ 0.02425756 -0.00281145 0.03378732] [ 0.02425755 0.00281145 -0.03378731] [-0.02425755 -0.00281145 -0.03378732] [-0.01734218 0.00297814 0.00782282] [ 0.01734218 -0.00297814 0.00782283] [ 0.01734218 0.00297814 -0.00782282] [-0.01734217 -0.00297814 -0.00782282]] Final stress: [ 3.42061776e-04 1.30368865e-04 1.09697283e-04 -2.96094936e-12 -3.24229384e-12 1.02174909e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.20910065e-04 2.65817726e-04 -4.11297062e-04] [-2.20910074e-04 -2.65817734e-04 -4.11297053e-04] [-2.20910062e-04 2.65817723e-04 4.11297064e-04] [ 2.20910063e-04 -2.65817724e-04 4.11297064e-04] [ 1.96959516e-04 -2.76259399e-04 -2.37106611e-05] [-1.96959508e-04 2.76259404e-04 -2.37106631e-05] [-1.96959517e-04 -2.76259396e-04 2.37106528e-05] [ 1.96959517e-04 2.76259397e-04 2.37106639e-05] [ 1.25569122e-04 -3.19559542e-04 -2.44770916e-05] [ 1.25569140e-04 3.19559523e-04 2.44770653e-05] [-1.25569142e-04 3.19559521e-04 -2.44770664e-05] [-1.25569108e-04 -3.19559543e-04 2.44770995e-05] [ 3.27109785e-04 -1.10673095e-04 1.93264721e-04] [-3.27109764e-04 -1.10673116e-04 -1.93264706e-04] [ 3.27109796e-04 1.10673076e-04 -1.93264729e-04] [-3.27109741e-04 1.10673116e-04 1.93264697e-04] [ 1.91284664e-04 1.71937148e-04 -1.06476611e-04] [-1.91284655e-04 -1.71937106e-04 -1.06476623e-04] [-1.91284686e-04 1.71937120e-04 1.06476631e-04] [ 1.91284640e-04 -1.71937131e-04 1.06476607e-04] [-3.91653098e-04 9.31887515e-05 1.75056912e-04] [ 3.91653063e-04 -9.31887433e-05 1.75056920e-04] [ 3.91653049e-04 9.31887612e-05 -1.75056902e-04] [-3.91653066e-04 -9.31887375e-05 -1.75056928e-04]] Final stress: [-1.91900281e-06 -4.03051148e-06 -5.71491238e-08 2.58037848e-14 -4.11878495e-14 -2.83252761e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.88405263e-04 -1.80803495e-04 4.37696158e-04] [ 1.88405255e-04 1.80803485e-04 4.37696168e-04] [ 1.88405268e-04 -1.80803500e-04 -4.37696155e-04] [-1.88405270e-04 1.80803503e-04 -4.37696152e-04] [-2.10580641e-04 3.09157875e-04 2.14621603e-05] [ 2.10580621e-04 -3.09157899e-04 2.14621834e-05] [ 2.10580618e-04 3.09157908e-04 -2.14621813e-05] [-2.10580625e-04 -3.09157906e-04 -2.14621733e-05] [-1.50033290e-04 4.23580265e-04 5.34762321e-05] [-1.50033282e-04 -4.23580280e-04 -5.34762512e-05] [ 1.50033301e-04 -4.23580246e-04 5.34762066e-05] [ 1.50033281e-04 4.23580261e-04 -5.34762261e-05] [-3.28981874e-04 1.16463856e-04 -1.38973735e-04] [ 3.28981866e-04 1.16463864e-04 1.38973732e-04] [-3.28981886e-04 -1.16463836e-04 1.38973744e-04] [ 3.28981835e-04 -1.16463894e-04 -1.38973714e-04] [-2.94326293e-05 6.28768170e-05 2.17404207e-04] [ 2.94326351e-05 -6.28768455e-05 2.17404191e-04] [ 2.94326430e-05 6.28768974e-05 -2.17404182e-04] [-2.94326169e-05 -6.28768500e-05 -2.17404205e-04] [ 2.95197769e-04 -1.57615670e-04 -2.64116791e-04] [-2.95197736e-04 1.57615701e-04 -2.64116766e-04] [-2.95197738e-04 -1.57615698e-04 2.64116762e-04] [ 2.95197756e-04 1.57615685e-04 2.64116788e-04]] Final stress: [-1.90521296e-06 -5.85049859e-07 -3.47720843e-06 -8.93563654e-14 7.42583571e-15 2.16173193e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.000763 -0.00075793 -0.00233132] [ 0.000763 0.00075793 -0.00233132] [ 0.000763 -0.00075793 0.00233132] [-0.000763 0.00075793 0.00233132] [ 0.0033948 0.00224913 -0.00721538] [-0.0033948 -0.00224913 -0.00721538] [-0.0033948 0.00224913 0.00721538] [ 0.0033948 -0.00224913 0.00721538] [ 0.00389412 0.00017262 -0.00787743] [ 0.00389412 -0.00017262 0.00787743] [-0.00389412 -0.00017262 -0.00787743] [-0.00389412 0.00017262 0.00787743] [-0.00104705 0.0017267 -0.00041822] [ 0.00104704 0.0017267 0.00041822] [-0.00104704 -0.0017267 0.00041822] [ 0.00104704 -0.0017267 -0.00041822] [ 0.0075431 0.00043402 -0.00603065] [-0.0075431 -0.00043402 -0.00603065] [-0.0075431 0.00043402 0.00603065] [ 0.0075431 -0.00043402 0.00603065] [ 0.00613032 0.00111242 -0.00416785] [-0.00613031 -0.00111242 -0.00416785] [-0.00613031 0.00111242 0.00416785] [ 0.00613031 -0.00111242 0.00416785]] Final stress: [-4.89866392e-05 3.98568759e-05 3.81411991e-05 1.07759063e-12 1.61153271e-12 1.27481013e-13] Minimization converged after 102 steps. Minimization converged after 100 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 0.00474982 0.00651925 0.02139726] [ 0.00481925 0.03014419 0.00112046] [ 0.00481925 -0.03014419 -0.00112046] [ 0.00474982 -0.00651925 -0.02139726] [-0.0271686 0.00476849 0.0075629 ] [ 0.00309946 -0.01974797 0.00437385] [ 0.00309946 0.01974797 -0.00437385] [-0.0271686 -0.00476849 -0.0075629 ] [-0.01709812 0.01952855 0.00521711] [-0.01709812 -0.01952855 -0.00521711] [-0.01192649 0.01252069 -0.00875686] [-0.01192649 -0.01252069 0.00875686] [ 0.0087356 -0.0015193 -0.00211912] [ 0.022904 -0.00820427 -0.00134416] [ 0.0087356 0.0015193 0.00211912] [ 0.022904 0.00820427 0.00134416] [ 0.0124723 0.00916353 0.00171604] [-0.01629264 -0.0031946 0.02121575] [-0.01629264 0.0031946 -0.02121575] [ 0.0124723 -0.00916353 -0.00171604] [ 0.00638338 0.00861945 -0.00694782] [ 0.00932205 0.00542146 0.00979552] [ 0.00932205 -0.00542146 -0.00979552] [ 0.00638338 -0.00861945 0.00694782]] Final stress: [-4.33168208e-04 1.64409689e-04 -4.58938565e-04 -5.74957619e-04 3.71298844e-13 3.49503924e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[-4.45136665e-03 -2.58304805e-02 7.90035784e-04] [-5.55884520e-03 -6.36412735e-03 1.95346593e-02] [-5.55884522e-03 6.36412739e-03 -1.95346593e-02] [-4.45136657e-03 2.58304804e-02 -7.90035831e-04] [-3.62343027e-03 1.54659173e-02 6.02617578e-03] [ 2.25842309e-02 -4.44955484e-03 5.48006651e-03] [ 2.25842311e-02 4.44955452e-03 -5.48006626e-03] [-3.62343055e-03 -1.54659169e-02 -6.02617548e-03] [ 1.12440277e-02 -1.03635872e-02 -7.76751163e-03] [ 1.12440278e-02 1.03635872e-02 7.76751165e-03] [ 1.45026551e-02 -1.59801460e-02 3.12449186e-03] [ 1.45026549e-02 1.59801461e-02 -3.12449190e-03] [-2.06340280e-02 -5.26048855e-03 -6.64016543e-05] [-6.44885444e-03 -2.15619392e-03 1.57748864e-03] [-2.06340282e-02 5.26048852e-03 6.64017365e-05] [-6.44885452e-03 2.15619393e-03 -1.57748860e-03] [ 1.49464921e-02 3.79909661e-03 1.66304197e-02] [-1.06181531e-02 -7.50411874e-03 3.00638903e-03] [-1.06181533e-02 7.50411848e-03 -3.00638923e-03] [ 1.49464921e-02 -3.79909643e-03 -1.66304199e-02] [-7.54523547e-03 -4.09442549e-03 9.07584780e-03] [-4.39749238e-03 -8.40250463e-03 -4.82238441e-03] [-4.39749212e-03 8.40250486e-03 4.82238424e-03] [-7.54523582e-03 4.09442532e-03 -9.07584788e-03]] Final stress: [-3.59524711e-04 1.37816943e-04 -3.82428027e-04 5.11547576e-04 1.68768216e-13 -5.29152212e-13] Minimization converged after 100 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-4.85209121e-03 4.78540445e-03 -1.34905390e-02] [-1.69457139e-04 -4.26293144e-03 -7.02067892e-04] [ 4.85209117e-03 4.78540451e-03 1.34905390e-02] [ 1.69457087e-04 -4.26293138e-03 7.02067956e-04] [ 1.24898459e-02 -9.24296049e-03 -2.50067034e-03] [-4.83487123e-03 6.19438334e-05 1.57914105e-03] [-1.24898459e-02 -9.24296048e-03 2.50067030e-03] [ 4.83487119e-03 6.19438909e-05 -1.57914101e-03] [-1.84121667e-04 3.46220452e-03 5.13825652e-03] [ 1.75701408e-03 7.21348259e-03 3.11495774e-03] [-1.75701400e-03 7.21348265e-03 -3.11495784e-03] [ 1.84121762e-04 3.46220442e-03 -5.13825639e-03] [-8.11613802e-04 5.26311655e-03 -5.28596732e-03] [ 8.11613795e-04 5.26311660e-03 5.28596731e-03] [ 5.09860033e-03 3.12105738e-03 -5.85318860e-03] [-5.09860031e-03 3.12105733e-03 5.85318859e-03] [-1.73115902e-03 -2.31221661e-03 -9.78890589e-03] [ 7.20090362e-03 4.24964037e-03 1.34587066e-03] [ 1.73115897e-03 -2.31221658e-03 9.78890599e-03] [-7.20090363e-03 4.24964045e-03 -1.34587079e-03] [ 4.67539429e-03 -4.09705600e-03 4.64220862e-03] [ 1.96792097e-04 -8.24168520e-03 1.77703919e-03] [-4.67539430e-03 -4.09705607e-03 -4.64220865e-03] [-1.96792097e-04 -8.24168528e-03 -1.77703914e-03]] Final stress: [ 2.18405505e-04 -3.65906979e-05 2.58130477e-04 -2.24743943e-13 3.12326924e-04 5.60008333e-15] Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-1.27411557e-03 -1.95549763e-03 -6.98042599e-04] [-2.13723464e-03 1.26670258e-03 5.22395005e-03] [ 1.27411555e-03 -1.95549761e-03 6.98042577e-04] [ 2.13723461e-03 1.26670261e-03 -5.22395002e-03] [-2.29355995e-03 4.87256909e-04 2.28268563e-04] [ 2.95553640e-03 -2.75477314e-03 -5.95377226e-05] [ 2.29355992e-03 4.87256959e-04 -2.28268601e-04] [-2.95553640e-03 -2.75477316e-03 5.95377343e-05] [ 5.52161835e-04 2.00650942e-03 -5.31737503e-05] [-1.67385287e-03 -1.01520515e-04 1.48147179e-03] [ 1.67385292e-03 -1.01520465e-04 -1.48147187e-03] [-5.52161800e-04 2.00650940e-03 5.31737972e-05] [-1.57943853e-03 1.79527501e-03 -1.65922585e-03] [ 1.57943856e-03 1.79527499e-03 1.65922587e-03] [ 5.02863216e-04 3.28440609e-03 -3.01397491e-03] [-5.02863236e-04 3.28440605e-03 3.01397492e-03] [ 2.57034718e-03 1.84311123e-03 3.01102026e-04] [-2.74354539e-03 -1.73653076e-04 2.81103500e-03] [-2.57034718e-03 1.84311129e-03 -3.01101955e-04] [ 2.74354537e-03 -1.73653106e-04 -2.81103505e-03] [ 1.97125760e-03 -2.94936952e-03 -5.19340549e-04] [ 2.21391448e-03 -2.74844737e-03 1.21921222e-03] [-1.97125760e-03 -2.94936956e-03 5.19340515e-04] [-2.21391449e-03 -2.74844738e-03 -1.21921218e-03]] Final stress: [-1.06898569e-04 3.14735149e-07 -1.03697183e-04 -1.16223887e-13 1.28669063e-04 5.07755916e-14] Minimization converged after 109 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 7.70033598e-04 -2.74774256e-04 5.65326665e-04] [-7.70033605e-04 2.74774252e-04 5.65326672e-04] [ 3.71001639e-04 -5.62056777e-04 -6.34889190e-04] [-3.71001632e-04 5.62056773e-04 -6.34889196e-04] [-1.00757823e-05 7.98677438e-04 -4.76732896e-04] [ 1.00757866e-05 -7.98677432e-04 -4.76732890e-04] [ 1.19847133e-03 -1.96087405e-05 -4.92481407e-04] [-1.19847133e-03 1.96087413e-05 -4.92481413e-04] [-6.59059826e-05 9.20405702e-05 1.17135818e-04] [-4.17594946e-05 -3.87628410e-04 6.19151075e-04] [ 6.59059794e-05 -9.20405674e-05 1.17135812e-04] [ 4.17595046e-05 3.87628409e-04 6.19151074e-04] [-2.35881541e-04 -2.38429642e-04 -2.52118305e-05] [-1.06207821e-04 -9.97157772e-05 -3.02489845e-04] [ 1.06207799e-04 9.97157949e-05 -3.02489832e-04] [ 2.35881569e-04 2.38429658e-04 -2.52118481e-05] [ 1.12797195e-03 2.26118253e-04 2.84830322e-04] [-1.12797193e-03 -2.26118266e-04 2.84830325e-04] [-6.99124671e-05 1.64633849e-04 -3.27246638e-04] [ 6.99124404e-05 -1.64633861e-04 -3.27246648e-04] [ 1.49982719e-04 -5.70813375e-04 3.57756094e-04] [-1.49982736e-04 5.70813376e-04 3.57756074e-04] [ 3.99044269e-04 3.22941137e-04 3.14851842e-04] [-3.99044258e-04 -3.22941145e-04 3.14851861e-04]] Final stress: [-2.46517172e-05 -1.68638159e-06 -2.45334506e-05 1.73437808e-15 -2.78393119e-14 -2.88445641e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-4.93626489e-04 -7.42557212e-04 4.24388448e-04] [ 4.93626488e-04 7.42557210e-04 4.24388449e-04] [-8.54505709e-04 -1.80927169e-04 -7.31835867e-04] [ 8.54505705e-04 1.80927175e-04 -7.31835861e-04] [-1.31280770e-03 -1.51093136e-04 3.67484249e-04] [ 1.31280770e-03 1.51093135e-04 3.67484250e-04] [ 6.56689911e-05 8.38073760e-04 1.68192145e-04] [-6.56689898e-05 -8.38073763e-04 1.68192150e-04] [ 1.25664333e-04 3.13388724e-04 -6.93242665e-04] [-1.33091729e-04 -3.53130249e-05 -1.98206581e-04] [-1.25664327e-04 -3.13388720e-04 -6.93242672e-04] [ 1.33091732e-04 3.53130217e-05 -1.98206575e-04] [-1.17283924e-04 -1.84131622e-04 1.07579595e-04] [ 2.07806842e-04 -8.06520284e-05 1.13287818e-04] [-2.07806834e-04 8.06520264e-05 1.13287812e-04] [ 1.17283918e-04 1.84131615e-04 1.07579599e-04] [ 1.39537163e-04 3.15377348e-04 6.81736317e-04] [-1.39537170e-04 -3.15377347e-04 6.81736306e-04] [-9.39037053e-04 2.89250126e-04 -2.77939241e-05] [ 9.39037055e-04 -2.89250123e-04 -2.77939295e-05] [-2.79897889e-04 5.08584625e-04 -6.43091839e-05] [ 2.79897892e-04 -5.08584617e-04 -6.43091753e-05] [-2.06109245e-04 -4.90786272e-04 -1.47280351e-04] [ 2.06109240e-04 4.90786267e-04 -1.47280352e-04]] Final stress: [-2.20883295e-05 -1.67593676e-06 -2.19805009e-05 -8.30437737e-15 1.31578702e-14 2.57023415e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 6.31721631e-04 5.68505565e-04 1.21657068e-04] [-6.31721574e-04 -5.68505491e-04 1.21656992e-04] [-6.31721575e-04 5.68505489e-04 -1.21656987e-04] [ 6.31721650e-04 -5.68505580e-04 -1.21657090e-04] [-1.68280794e-03 -5.84759710e-04 1.09761850e-03] [ 1.68280796e-03 5.84759711e-04 1.09761846e-03] [ 1.68280802e-03 -5.84759784e-04 -1.09761837e-03] [-1.68280788e-03 5.84759592e-04 -1.09761866e-03] [ 6.12104550e-04 -2.72184316e-04 1.21099181e-03] [ 6.12104500e-04 2.72184352e-04 -1.21099174e-03] [-6.12104596e-04 2.72184205e-04 1.21099197e-03] [-6.12104766e-04 -2.72184082e-04 -1.21099219e-03] [ 2.53632610e-03 -1.56417630e-03 -9.71434103e-05] [-2.53632615e-03 -1.56417637e-03 9.71433567e-05] [ 2.53632608e-03 1.56417635e-03 9.71434399e-05] [-2.53632610e-03 1.56417642e-03 -9.71434225e-05] [-4.01214697e-04 -2.49755104e-03 1.04259365e-03] [ 4.01214677e-04 2.49755116e-03 1.04259402e-03] [ 4.01214717e-04 -2.49755114e-03 -1.04259391e-03] [-4.01214555e-04 2.49755099e-03 -1.04259363e-03] [-7.73020539e-04 -1.67732125e-03 9.25475591e-04] [ 7.73020504e-04 1.67732109e-03 9.25475233e-04] [ 7.73020534e-04 -1.67732110e-03 -9.25475346e-04] [-7.73020545e-04 1.67732124e-03 -9.25475343e-04]] Final stress: [ 8.34748879e-06 7.43239853e-06 -1.18219293e-05 5.31529106e-13 -3.84434112e-14 -5.95090258e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.15824239e-04 -1.67657186e-04 -5.97463107e-05] [ 1.15824253e-04 1.67657204e-04 -5.97463305e-05] [ 1.15824256e-04 -1.67657208e-04 5.97463329e-05] [-1.15824249e-04 1.67657198e-04 5.97463205e-05] [ 1.74371845e-04 -3.04338066e-04 -6.90842370e-04] [-1.74371834e-04 3.04338079e-04 -6.90842406e-04] [-1.74371861e-04 -3.04338035e-04 6.90842369e-04] [ 1.74371843e-04 3.04338065e-04 6.90842379e-04] [ 1.37687149e-05 4.79697034e-04 3.72983120e-04] [ 1.37687368e-05 -4.79697048e-04 -3.72983145e-04] [-1.37687781e-05 -4.79697083e-04 3.72983198e-04] [-1.37687527e-05 4.79697071e-04 -3.72983177e-04] [-3.18346707e-04 3.33030442e-04 2.35807018e-04] [ 3.18346699e-04 3.33030419e-04 -2.35807025e-04] [-3.18346721e-04 -3.33030434e-04 -2.35807015e-04] [ 3.18346696e-04 -3.33030431e-04 2.35807032e-04] [-2.94372240e-04 8.17533995e-04 -8.89891834e-04] [ 2.94372299e-04 -8.17533986e-04 -8.89891790e-04] [ 2.94372279e-04 8.17534003e-04 8.89891791e-04] [-2.94372272e-04 -8.17534024e-04 8.89891847e-04] [ 4.92945227e-04 -2.75052548e-04 -7.33928935e-05] [-4.92945216e-04 2.75052499e-04 -7.33928898e-05] [-4.92945217e-04 -2.75052516e-04 7.33929126e-05] [ 4.92945239e-04 2.75052557e-04 7.33928653e-05]] Final stress: [-1.29648115e-06 -1.42172642e-06 -1.24699162e-05 5.85635366e-14 -3.08665755e-15 3.11378497e-14] Minimization converged after 103 steps. Minimization converged after 109 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 6.35675255e-04 -3.72066311e-04 -5.59002969e-04] [-5.78391382e-04 -7.83591331e-04 -2.75659780e-04] [-5.78391381e-04 7.83591330e-04 2.75659781e-04] [ 6.35675254e-04 3.72066313e-04 5.59002970e-04] [ 2.95926768e-04 1.03840694e-04 -8.34477258e-05] [ 3.30395465e-05 2.51980987e-04 -2.56441537e-04] [ 3.30395402e-05 -2.51980979e-04 2.56441538e-04] [ 2.95926773e-04 -1.03840701e-04 8.34477234e-05] [ 5.09759222e-04 -1.19452664e-03 -9.89576331e-06] [ 5.09759219e-04 1.19452664e-03 9.89576513e-06] [ 4.80708977e-04 1.87555356e-05 7.93077680e-04] [ 4.80708977e-04 -1.87555313e-05 -7.93077684e-04] [-6.25873651e-04 -1.97668212e-05 3.81721610e-04] [-1.08976794e-04 -7.73039422e-05 -9.45418302e-05] [-6.25873652e-04 1.97668228e-05 -3.81721608e-04] [-1.08976796e-04 7.73039400e-05 9.45418316e-05] [ 3.20298674e-04 8.68290842e-05 1.48714201e-04] [-2.86932437e-04 -1.12198820e-03 2.41659058e-04] [-2.86932432e-04 1.12198821e-03 -2.41659057e-04] [ 3.20298671e-04 -8.68290913e-05 -1.48714202e-04] [-3.03697264e-04 -4.01008316e-04 3.23039814e-04] [-3.71536909e-04 -1.41994209e-04 -5.55690483e-04] [-3.71536917e-04 1.41994204e-04 5.55690479e-04] [-3.03697261e-04 4.01008317e-04 -3.23039813e-04]] Final stress: [-2.44914090e-05 -2.46107664e-05 -1.57917538e-06 2.91357200e-05 -2.57548751e-15 1.29782354e-14] Minimization converged after 97 steps. Minimization converged after 95 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.75969897e-03 2.54471876e-04 7.97983147e-05] [-1.23484374e-03 -7.13116881e-04 -2.16576981e-03] [-1.75969898e-03 2.54471882e-04 -7.97983213e-05] [ 1.23484374e-03 -7.13116886e-04 2.16576981e-03] [-5.34845802e-04 4.62148819e-04 9.15047830e-05] [-7.81361693e-04 1.10146281e-03 -7.59531650e-05] [ 5.34845808e-04 4.62148815e-04 -9.15047722e-05] [ 7.81361683e-04 1.10146283e-03 7.59531737e-05] [ 6.82788563e-04 -2.21299952e-03 2.68295012e-04] [ 1.35473618e-04 1.26788607e-03 -1.02675203e-03] [-1.35473610e-04 1.26788606e-03 1.02675204e-03] [-6.82788563e-04 -2.21299951e-03 -2.68295022e-04] [ 5.99329480e-05 -9.28532229e-04 1.52141155e-03] [-5.99329437e-05 -9.28532232e-04 -1.52141155e-03] [-1.21376561e-03 -1.19049446e-03 7.77695597e-04] [ 1.21376561e-03 -1.19049446e-03 -7.77695594e-04] [ 3.62395108e-04 7.80293456e-04 1.78874643e-03] [-9.23144984e-04 -8.98308318e-04 -1.03051866e-03] [-3.62395115e-04 7.80293447e-04 -1.78874644e-03] [ 9.23144981e-04 -8.98308312e-04 1.03051866e-03] [-7.54624002e-04 1.17500818e-03 1.27805487e-04] [-3.98955324e-04 9.02180180e-04 -3.85131918e-04] [ 7.54624015e-04 1.17500820e-03 -1.27805483e-04] [ 3.98955314e-04 9.02180187e-04 3.85131902e-04]] Final stress: [-3.44315683e-05 -3.42922809e-05 2.60822575e-05 2.84145797e-14 -7.04398047e-05 -3.11963185e-14] Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-8.74133409e-04 -6.88330988e-04 9.77945581e-04] [ 8.74133404e-04 6.88330983e-04 9.77945586e-04] [ 4.00595904e-03 -1.22964927e-03 -1.85537658e-03] [-4.00595904e-03 1.22964927e-03 -1.85537658e-03] [ 1.21659370e-03 8.79163690e-04 -1.72750394e-03] [-1.21659370e-03 -8.79163689e-04 -1.72750394e-03] [ 1.90549071e-03 -7.46705870e-04 -1.75747301e-03] [-1.90549071e-03 7.46705869e-04 -1.75747301e-03] [ 1.01783146e-05 1.86773158e-03 3.81935144e-04] [-4.66394176e-04 -3.74070913e-03 2.25579606e-03] [-1.01783087e-05 -1.86773158e-03 3.81935139e-04] [ 4.66394180e-04 3.74070913e-03 2.25579606e-03] [ 7.95723837e-04 4.45492324e-04 -1.14486487e-03] [-7.96075184e-04 -6.09700215e-04 6.12201354e-05] [ 7.96075175e-04 6.09700224e-04 6.12201379e-05] [-7.95723829e-04 -4.45492316e-04 -1.14486487e-03] [ 1.60726506e-03 -1.55123210e-03 -1.05219720e-03] [-1.60726506e-03 1.55123210e-03 -1.05219720e-03] [ 3.86875039e-03 -7.07745830e-04 7.70371367e-04] [-3.86875040e-03 7.07745829e-04 7.70371366e-04] [ 1.65459564e-03 -6.75940898e-04 2.29053525e-03] [-1.65459564e-03 6.75940892e-04 2.29053524e-03] [-3.04061501e-04 5.72684926e-04 7.99612061e-04] [ 3.04061507e-04 -5.72684933e-04 7.99612060e-04]] Final stress: [ 6.60010744e-05 6.35425933e-05 -3.19841360e-05 1.64048779e-14 -1.67229323e-14 -1.08019786e-04] Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 2.77346313e-03 1.16926675e-03 -4.83685728e-04] [-2.77346314e-03 -1.16926676e-03 -4.83685712e-04] [ 5.05680960e-04 -6.70348723e-04 1.35356672e-03] [-5.05680972e-04 6.70348737e-04 1.35356673e-03] [ 1.37649113e-03 4.33773464e-04 -1.42707383e-03] [-1.37649112e-03 -4.33773447e-04 -1.42707384e-03] [ 9.87416200e-04 -8.48706430e-04 -5.54864583e-04] [-9.87416193e-04 8.48706419e-04 -5.54864579e-04] [-2.47043732e-04 -1.62562368e-03 1.52519845e-03] [ 2.24353962e-04 1.19190148e-03 -1.33791627e-04] [ 2.47043760e-04 1.62562370e-03 1.52519841e-03] [-2.24353933e-04 -1.19190151e-03 -1.33791586e-04] [-7.41790420e-04 -6.55802111e-04 -1.12148615e-05] [ 1.93801665e-05 4.57513747e-05 -8.99989617e-04] [-1.93801579e-05 -4.57513589e-05 -8.99989625e-04] [ 7.41790417e-04 6.55802096e-04 -1.12148603e-05] [ 1.38636769e-03 1.21085563e-03 -1.26623876e-04] [-1.38636771e-03 -1.21085564e-03 -1.26623907e-04] [-2.94791983e-04 1.29620516e-03 -1.57745568e-03] [ 2.94791967e-04 -1.29620515e-03 -1.57745570e-03] [ 4.91288681e-04 -1.11403379e-03 1.19684355e-03] [-4.91288687e-04 1.11403383e-03 1.19684357e-03] [ 1.81606413e-04 1.01009951e-03 1.13909109e-03] [-1.81606428e-04 -1.01009955e-03 1.13909109e-03]] Final stress: [-5.77084598e-05 -5.85515088e-05 -8.69436208e-06 -4.49238191e-14 9.68734709e-15 -5.86386963e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-6.30560465e-04 -1.06967946e-03 -1.80345250e-03] [ 6.30560453e-04 1.06967945e-03 -1.80345249e-03] [-4.58718988e-03 1.81520500e-03 1.25306822e-03] [ 4.58718988e-03 -1.81520500e-03 1.25306823e-03] [-1.47224312e-03 -1.27363474e-03 1.43156692e-03] [ 1.47224312e-03 1.27363475e-03 1.43156695e-03] [-2.77010457e-03 7.33518426e-04 3.02031237e-03] [ 2.77010459e-03 -7.33518460e-04 3.02031235e-03] [-4.54259181e-05 -1.88234504e-03 5.34918636e-04] [-1.59917399e-04 2.69805489e-03 -2.54475268e-03] [ 4.54259424e-05 1.88234507e-03 5.34918592e-04] [ 1.59917396e-04 -2.69805491e-03 -2.54475266e-03] [ 2.06038499e-04 2.19341158e-04 1.87914119e-03] [ 1.41502363e-03 -1.44756133e-03 -4.56293585e-05] [-1.41502366e-03 1.44756138e-03 -4.56293381e-05] [-2.06038474e-04 -2.19341153e-04 1.87914117e-03] [ 1.61004654e-04 2.39263570e-03 1.68441521e-03] [-1.61004662e-04 -2.39263574e-03 1.68441522e-03] [-2.64442369e-03 2.33467612e-03 -1.81694946e-04] [ 2.64442366e-03 -2.33467612e-03 -1.81694989e-04] [-4.56242654e-04 1.77773128e-03 -2.80448257e-03] [ 4.56242656e-04 -1.77773123e-03 -2.80448259e-03] [-9.22975199e-04 -2.08430685e-03 -2.42341050e-03] [ 9.22975209e-04 2.08430680e-03 -2.42341045e-03]] Final stress: [-1.00232575e-04 -1.02864594e-04 -6.27664377e-06 -1.45772794e-14 1.57863246e-15 1.15111803e-04] Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.50607269e-03 2.70796776e-03 1.43680149e-03] [-3.50607234e-03 -2.70796751e-03 1.43680113e-03] [-3.50607270e-03 2.70796779e-03 -1.43680147e-03] [ 3.50607242e-03 -2.70796760e-03 -1.43680123e-03] [ 1.42412036e-03 4.04310692e-03 -3.82886619e-03] [-1.42412062e-03 -4.04310720e-03 -3.82886652e-03] [-1.42412046e-03 4.04310698e-03 3.82886613e-03] [ 1.42412035e-03 -4.04310680e-03 3.82886665e-03] [ 2.60022623e-03 3.84294802e-04 -2.25435763e-03] [ 2.60022583e-03 -3.84294710e-04 2.25435764e-03] [-2.60022619e-03 -3.84294909e-04 -2.25435735e-03] [-2.60022667e-03 3.84295019e-04 2.25435726e-03] [ 2.39589377e-03 8.99917677e-04 -9.41718901e-06] [-2.39589460e-03 8.99918178e-04 9.41668440e-06] [ 2.39589535e-03 -8.99918689e-04 9.41617388e-06] [-2.39589549e-03 -8.99918627e-04 -9.41610863e-06] [ 2.01522265e-04 -1.20542628e-03 -2.54065132e-03] [-2.01522840e-04 1.20542652e-03 -2.54065160e-03] [-2.01521923e-04 -1.20542641e-03 2.54065114e-03] [ 2.01523603e-04 1.20542705e-03 2.54065191e-03] [ 2.63740656e-04 -1.23513507e-03 -4.65244646e-03] [-2.63739440e-04 1.23513488e-03 -4.65244552e-03] [-2.63740289e-04 -1.23513471e-03 4.65244662e-03] [ 2.63740056e-04 1.23513495e-03 4.65244575e-03]] Final stress: [-3.38214419e-05 -5.10356080e-06 -6.66723329e-06 -2.83351168e-13 1.86706012e-12 -5.06801449e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.68803063e-04 -2.90516459e-04 -2.20384696e-04] [ 2.68803062e-04 2.90516460e-04 -2.20384697e-04] [ 2.68803056e-04 -2.90516451e-04 2.20384693e-04] [-2.68803042e-04 2.90516437e-04 2.20384678e-04] [-3.17389831e-05 -6.58221268e-04 5.12400335e-04] [ 3.17389754e-05 6.58221260e-04 5.12400344e-04] [ 3.17389690e-05 -6.58221250e-04 -5.12400359e-04] [-3.17390312e-05 6.58221353e-04 -5.12400294e-04] [-3.48037985e-04 2.93243587e-04 2.24578075e-04] [-3.48037995e-04 -2.93243558e-04 -2.24578043e-04] [ 3.48037975e-04 -2.93243577e-04 2.24578058e-04] [ 3.48037949e-04 2.93243596e-04 -2.24578087e-04] [-2.34217780e-04 -1.02654921e-04 1.25859884e-04] [ 2.34217735e-04 -1.02654891e-04 -1.25859913e-04] [-2.34217760e-04 1.02654910e-04 -1.25859899e-04] [ 2.34217770e-04 1.02654951e-04 1.25859889e-04] [-3.36930642e-04 8.35489058e-05 5.96393528e-04] [ 3.36930687e-04 -8.35489686e-05 5.96393479e-04] [ 3.36930659e-04 8.35488669e-05 -5.96393514e-04] [-3.36930627e-04 -8.35488954e-05 -5.96393489e-04] [-1.47177097e-04 2.49100325e-04 4.97403855e-04] [ 1.47177153e-04 -2.49100421e-04 4.97403853e-04] [ 1.47177142e-04 2.49100401e-04 -4.97403855e-04] [-1.47177127e-04 -2.49100393e-04 -4.97403823e-04]] Final stress: [ 7.90391325e-07 1.05753737e-07 -8.86858627e-08 -5.60460262e-14 7.93826984e-14 -8.13352376e-14] Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.20207637e-04 -2.95261528e-04 2.13694125e-04] [-3.20207613e-04 2.95261554e-04 2.13694098e-04] [-3.20207625e-04 -2.95261542e-04 -2.13694115e-04] [ 3.20207651e-04 2.95261512e-04 -2.13694142e-04] [-1.82911610e-04 3.74393060e-05 1.67716268e-04] [ 1.82911653e-04 -3.74392545e-05 1.67716239e-04] [ 1.82911625e-04 3.74393165e-05 -1.67716253e-04] [-1.82911618e-04 -3.74393074e-05 -1.67716255e-04] [ 6.98659053e-05 2.51914433e-04 2.69641935e-04] [ 6.98658671e-05 -2.51914404e-04 -2.69641883e-04] [-6.98658497e-05 -2.51914417e-04 2.69641899e-04] [-6.98658919e-05 2.51914456e-04 -2.69641953e-04] [-4.19106397e-04 -8.42207025e-05 5.59048468e-06] [ 4.19106524e-04 -8.42208362e-05 -5.59040959e-06] [-4.19106458e-04 8.42207882e-05 -5.59044040e-06] [ 4.19106484e-04 8.42207944e-05 5.59043206e-06] [ 3.36072297e-04 8.35254591e-05 1.87220254e-04] [-3.36072378e-04 -8.35254381e-05 1.87220239e-04] [-3.36072331e-04 8.35254584e-05 -1.87220272e-04] [ 3.36072285e-04 -8.35255559e-05 -1.87220226e-04] [-1.86531995e-04 2.31469206e-05 -1.10785560e-04] [ 1.86531933e-04 -2.31470097e-05 -1.10785617e-04] [ 1.86531945e-04 2.31469118e-05 1.10785570e-04] [-1.86532040e-04 -2.31469149e-05 1.10785585e-04]] Final stress: [-3.17353208e-06 -6.39156744e-07 -1.78844239e-06 1.28453825e-13 5.67063809e-14 1.04171604e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00281535 0.00636928 -0.00333952] [ 0.00281535 -0.00636928 -0.00333952] [ 0.00281535 0.00636928 0.00333952] [-0.00281535 -0.00636928 0.00333952] [ 0.00706102 0.00196821 -0.00256199] [-0.00706102 -0.00196821 -0.00256199] [-0.00706102 0.00196821 0.00256199] [ 0.00706102 -0.00196821 0.00256199] [ 0.00046443 -0.00173888 -0.00487227] [ 0.00046443 0.00173888 0.00487227] [-0.00046443 0.00173888 -0.00487227] [-0.00046443 -0.00173888 0.00487227] [ 0.00478194 -0.00010323 -0.00340448] [-0.00478194 -0.00010323 0.00340448] [ 0.00478194 0.00010323 0.00340448] [-0.00478194 0.00010323 -0.00340448] [ 0.00031738 0.00409505 -0.0013341 ] [-0.00031738 -0.00409505 -0.0013341 ] [-0.00031738 0.00409505 0.0013341 ] [ 0.00031737 -0.00409505 0.0013341 ] [-0.004252 -0.0051314 0.00737929] [ 0.00425199 0.0051314 0.00737929] [ 0.00425199 -0.0051314 -0.00737929] [-0.00425199 0.0051314 -0.00737929]] Final stress: [ 3.77065108e-05 -1.51291904e-04 -5.53855724e-05 -5.61397508e-13 -1.26653512e-12 -2.25560639e-13] Minimization converged after 9 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.68359567e-04 -1.03828077e-04 -1.74113026e-04] [-4.68359622e-04 1.03828040e-04 -1.74112974e-04] [-4.68359588e-04 -1.03828058e-04 1.74113014e-04] [ 4.68359669e-04 1.03827989e-04 1.74112935e-04] [-3.90342640e-05 -1.71549115e-04 2.44036885e-04] [ 3.90342854e-05 1.71549126e-04 2.44036952e-04] [ 3.90343928e-05 -1.71549295e-04 -2.44036729e-04] [-3.90343410e-05 1.71549211e-04 -2.44036866e-04] [-8.59533761e-05 -2.48916160e-04 3.79194576e-05] [-8.59532851e-05 2.48916165e-04 -3.79194217e-05] [ 8.59533890e-05 2.48916177e-04 3.79194064e-05] [ 8.59533874e-05 -2.48916200e-04 -3.79193901e-05] [ 8.44779453e-05 -7.27021481e-05 4.13614010e-04] [-8.44777680e-05 -7.27022308e-05 -4.13613910e-04] [ 8.44776504e-05 7.27022969e-05 -4.13613821e-04] [-8.44777032e-05 7.27022898e-05 4.13613856e-04] [ 2.67778347e-04 -2.69810091e-05 3.43717598e-04] [-2.67778285e-04 2.69810127e-05 3.43717692e-04] [-2.67778435e-04 -2.69810992e-05 -3.43717711e-04] [ 2.67778198e-04 2.69810315e-05 -3.43717802e-04] [-3.14279926e-04 3.44458838e-04 -3.32253061e-04] [ 3.14279745e-04 -3.44458791e-04 -3.32253224e-04] [ 3.14280020e-04 3.44458863e-04 3.32252976e-04] [-3.14280003e-04 -3.44458858e-04 3.32253154e-04]] Final stress: [-7.99753270e-06 -2.50119629e-06 2.74438416e-06 5.91053195e-14 -3.07821931e-13 -5.94930509e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.94522256e-04 2.13881925e-04 3.19902012e-04] [ 2.94522244e-04 -2.13881934e-04 3.19902020e-04] [ 2.94522284e-04 2.13881894e-04 -3.19901983e-04] [-2.94522251e-04 -2.13881930e-04 -3.19902019e-04] [ 2.52549737e-04 2.70621722e-04 7.06696499e-05] [-2.52549696e-04 -2.70621659e-04 7.06696014e-05] [-2.52549716e-04 2.70621690e-04 -7.06695792e-05] [ 2.52549757e-04 -2.70621745e-04 -7.06696553e-05] [-8.49512414e-05 4.40625880e-06 -4.21488506e-04] [-8.49513425e-05 -4.40619572e-06 4.21488615e-04] [ 8.49513164e-05 -4.40622157e-06 -4.21488553e-04] [ 8.49513288e-05 4.40621840e-06 4.21488568e-04] [ 3.82058924e-05 1.68699238e-04 -1.82365384e-04] [-3.82058726e-05 1.68699223e-04 1.82365397e-04] [ 3.82058632e-05 -1.68699191e-04 1.82365421e-04] [-3.82058838e-05 -1.68699219e-04 -1.82365390e-04] [ 8.42956191e-05 1.86292798e-04 3.37486545e-04] [-8.42956792e-05 -1.86292805e-04 3.37486593e-04] [-8.42956084e-05 1.86292808e-04 -3.37486659e-04] [ 8.42955837e-05 -1.86292843e-04 -3.37486584e-04] [ 2.22486542e-05 -1.07686737e-04 -1.89312517e-04] [-2.22486676e-05 1.07686753e-04 -1.89312582e-04] [-2.22487268e-05 -1.07686802e-04 1.89312471e-04] [ 2.22486619e-05 1.07686753e-04 1.89312517e-04]] Final stress: [-6.56219178e-07 -1.78018674e-06 -3.14066559e-06 7.45195367e-14 4.52227179e-14 1.52111029e-13] Minimization converged after 9 steps. Minimization converged after 108 steps. Minimization converged after 104 steps. Minimization converged after 102 steps. Minimization converged after 103 steps. Minimization converged after 101 steps. Minimization converged after 102 steps. Minimization converged after 80 steps. Minimization converged after 79 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 81 steps. Minimization converged after 84 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.04070263 0.08792351 0.0802089 ] [-0.04070263 -0.08792351 0.0802089 ] [-0.04070262 0.0879235 -0.0802089 ] [ 0.04070262 -0.0879235 -0.08020889] [-0.00676344 0.05605086 0.04872032] [ 0.00676343 -0.05605088 0.04872032] [ 0.00676342 0.0560509 -0.04872034] [-0.00676341 -0.0560509 -0.04872034] [-0.09484265 0.02948156 0.104938 ] [-0.09484265 -0.02948156 -0.10493802] [ 0.09484264 -0.02948156 0.10493801] [ 0.09484266 0.02948156 -0.104938 ] [-0.06461886 0.07402241 0.00766184] [ 0.06461886 0.07402241 -0.00766184] [-0.06461885 -0.07402242 -0.00766185] [ 0.06461884 -0.07402243 0.00766185] [-0.0811792 0.00090454 -0.03881458] [ 0.08117919 -0.00090453 -0.03881458] [ 0.08117921 0.00090457 0.03881459] [-0.0811792 -0.00090455 0.03881458] [-0.10518879 0.01832462 -0.02873817] [ 0.10518879 -0.01832461 -0.02873815] [ 0.10518877 0.01832461 0.02873817] [-0.10518876 -0.01832459 0.02873815]] Final stress: [ 4.42422705e-04 -3.66175762e-04 8.57368399e-04 -1.17006017e-11 4.57259003e-12 5.24416283e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.20136807e-04 -2.73262504e-04 -2.92288832e-04] [ 2.20136815e-04 2.73262512e-04 -2.92288842e-04] [ 2.20136807e-04 -2.73262503e-04 2.92288834e-04] [-2.20136803e-04 2.73262498e-04 2.92288831e-04] [ 1.25852853e-04 -2.36065987e-04 -9.97213754e-05] [-1.25852863e-04 2.36065963e-04 -9.97213694e-05] [-1.25852822e-04 -2.36066036e-04 9.97214213e-05] [ 1.25852863e-04 2.36065968e-04 9.97213799e-05] [ 5.19255636e-04 -3.33456475e-05 -6.62379428e-04] [ 5.19255641e-04 3.33456313e-05 6.62379407e-04] [-5.19255636e-04 3.33456193e-05 -6.62379388e-04] [-5.19255623e-04 -3.33456523e-05 6.62379438e-04] [ 2.23767827e-04 -3.52182318e-04 2.88223276e-04] [-2.23767803e-04 -3.52182330e-04 -2.88223260e-04] [ 2.23767853e-04 3.52182279e-04 -2.88223287e-04] [-2.23767859e-04 3.52182284e-04 2.88223295e-04] [ 5.99657763e-04 -3.30590387e-04 8.84261936e-05] [-5.99657809e-04 3.30590465e-04 8.84262414e-05] [-5.99657777e-04 -3.30590423e-04 -8.84262385e-05] [ 5.99657780e-04 3.30590468e-04 -8.84262546e-05] [ 5.00059719e-04 -1.45359054e-04 2.48453526e-04] [-5.00059723e-04 1.45359109e-04 2.48453551e-04] [-5.00059716e-04 -1.45359049e-04 -2.48453539e-04] [ 5.00059684e-04 1.45359096e-04 -2.48453578e-04]] Final stress: [-4.26775978e-08 7.52185214e-07 1.53106745e-07 5.39547956e-14 -3.08793887e-14 -5.63335301e-16] Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.34628908e-04 4.22446548e-04 -9.86203757e-04] [-5.34628884e-04 -4.22446521e-04 -9.86203791e-04] [-5.34628898e-04 4.22446542e-04 9.86203776e-04] [ 5.34628902e-04 -4.22446548e-04 9.86203763e-04] [ 6.47743527e-04 -6.78025577e-04 -3.45557847e-04] [-6.47743422e-04 6.78025761e-04 -3.45558006e-04] [-6.47743427e-04 -6.78025774e-04 3.45558009e-04] [ 6.47743488e-04 6.78025682e-04 3.45557892e-04] [ 1.65890241e-04 -8.70865372e-04 -4.71336606e-05] [ 1.65890127e-04 8.70865463e-04 4.71337919e-05] [-1.65890239e-04 8.70865362e-04 -4.71336054e-05] [-1.65890190e-04 -8.70865390e-04 4.71336536e-05] [ 1.07647405e-03 -2.42107693e-04 5.31937390e-04] [-1.07647424e-03 -2.42107528e-04 -5.31937508e-04] [ 1.07647413e-03 2.42107639e-04 -5.31937429e-04] [-1.07647414e-03 2.42107649e-04 5.31937454e-04] [ 4.49050399e-04 3.83707362e-04 -3.96477424e-04] [-4.49050386e-04 -3.83707411e-04 -3.96477256e-04] [-4.49050344e-04 3.83707225e-04 3.96477188e-04] [ 4.49050393e-04 -3.83707296e-04 3.96477410e-04] [-1.30424992e-03 3.81951121e-04 5.96918531e-04] [ 1.30424994e-03 -3.81951106e-04 5.96918459e-04] [ 1.30424985e-03 3.81951078e-04 -5.96918496e-04] [-1.30424986e-03 -3.81951215e-04 -5.96918537e-04]] Final stress: [-9.42880439e-06 -1.96788582e-05 5.49659379e-07 1.72672514e-13 8.18112545e-14 -5.22589196e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.42443305e-04 -2.13918471e-04 4.75851229e-04] [ 2.42443309e-04 2.13918473e-04 4.75851226e-04] [ 2.42443322e-04 -2.13918489e-04 -4.75851215e-04] [-2.42443328e-04 2.13918492e-04 -4.75851210e-04] [-2.22143300e-04 3.75056358e-04 7.66144751e-06] [ 2.22143279e-04 -3.75056387e-04 7.66146275e-06] [ 2.22143251e-04 3.75056436e-04 -7.66148959e-06] [-2.22143271e-04 -3.75056404e-04 -7.66145645e-06] [-1.91340622e-04 5.10297913e-04 1.32366843e-04] [-1.91340669e-04 -5.10297889e-04 -1.32366803e-04] [ 1.91340634e-04 -5.10297901e-04 1.32366822e-04] [ 1.91340647e-04 5.10297898e-04 -1.32366809e-04] [-3.72663554e-04 2.48705546e-05 -1.42913824e-04] [ 3.72663560e-04 2.48705316e-05 1.42913835e-04] [-3.72663534e-04 -2.48705485e-05 1.42913818e-04] [ 3.72663509e-04 -2.48705748e-05 -1.42913797e-04] [-6.52435459e-05 2.32373658e-05 3.16471287e-04] [ 6.52435292e-05 -2.32373736e-05 3.16471249e-04] [ 6.52435917e-05 2.32374265e-05 -3.16471279e-04] [-6.52435450e-05 -2.32374035e-05 -3.16471279e-04] [ 4.92992527e-04 -2.98594104e-04 -3.76550382e-04] [-4.92992481e-04 2.98594083e-04 -3.76550354e-04] [-4.92992538e-04 -2.98594124e-04 3.76550337e-04] [ 4.92992533e-04 2.98594138e-04 3.76550341e-04]] Final stress: [-4.23113943e-06 -6.64402416e-07 -7.93017808e-06 -4.70576034e-14 6.77701820e-14 1.09529710e-13] Minimization converged after 9 steps. Minimization converged after 100 steps. Minimization converged after 101 steps. Minimization converged after 84 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.56880128e-04 -2.81232350e-03 4.96426281e-04] [-1.43726276e-04 -4.23545435e-04 2.15199276e-03] [-1.43726276e-04 4.23545443e-04 -2.15199276e-03] [ 1.56880165e-04 2.81232347e-03 -4.96426309e-04] [-7.18538808e-04 1.91790620e-03 5.22299429e-04] [ 2.82989659e-03 4.78253519e-04 9.90393419e-04] [ 2.82989659e-03 -4.78253530e-04 -9.90393386e-04] [-7.18538841e-04 -1.91790617e-03 -5.22299424e-04] [ 8.41501206e-04 -1.18342671e-03 -1.78447345e-03] [ 8.41501262e-04 1.18342668e-03 1.78447342e-03] [ 3.37727885e-04 -2.03950220e-03 6.13835517e-04] [ 3.37727918e-04 2.03950219e-03 -6.13835501e-04] [-1.59992777e-03 -4.38549044e-04 9.51188210e-04] [ 3.44845861e-04 6.15638822e-04 9.83682903e-04] [-1.59992785e-03 4.38549079e-04 -9.51188165e-04] [ 3.44845948e-04 -6.15638777e-04 -9.83682955e-04] [ 1.61762279e-03 -7.60226148e-04 1.40564659e-03] [-7.73908979e-04 -1.25353742e-03 1.20111447e-05] [-7.73909079e-04 1.25353738e-03 -1.20111001e-05] [ 1.61762269e-03 7.60226136e-04 -1.40564662e-03] [-1.36364856e-03 7.44508056e-04 1.50631227e-03] [-1.52872406e-03 3.95113486e-04 -1.30357066e-03] [-1.52872400e-03 -3.95113467e-04 1.30357063e-03] [-1.36364854e-03 -7.44508068e-04 -1.50631223e-03]] Final stress: [-2.17636949e-05 3.62945260e-05 -2.18264708e-05 7.53685212e-05 -1.15643624e-13 -6.36164360e-14] Minimization converged after 101 steps. Minimization converged after 103 steps. Minimization converged after 100 steps. Minimization converged after 107 steps. Minimization converged after 106 steps. Minimization converged after 103 steps. Minimization converged after 80 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 4.14023135e-03 2.18997369e-03 5.35916565e-03] [-4.14023092e-03 -2.18997314e-03 5.35916503e-03] [-4.14023056e-03 2.18997273e-03 -5.35916475e-03] [ 4.14023103e-03 -2.18997331e-03 -5.35916539e-03] [ 6.19220124e-04 -3.44853771e-03 3.96919464e-03] [-6.19219952e-04 3.44853778e-03 3.96919390e-03] [-6.19220867e-04 -3.44853631e-03 -3.96919494e-03] [ 6.19221098e-04 3.44853611e-03 -3.96919567e-03] [ 1.39573465e-03 -1.75089933e-05 3.64325678e-03] [ 1.39573484e-03 1.75083631e-05 -3.64325770e-03] [-1.39573612e-03 1.75074375e-05 3.64325920e-03] [-1.39573608e-03 -1.75069979e-05 -3.64325983e-03] [ 6.14161170e-03 -5.82960497e-03 2.18048852e-03] [-6.14161186e-03 -5.82960615e-03 -2.18048868e-03] [ 6.14161164e-03 5.82960546e-03 -2.18048849e-03] [-6.14161186e-03 5.82960561e-03 2.18048873e-03] [-1.83777412e-03 -3.86194065e-03 2.96125297e-04] [ 1.83777502e-03 3.86194160e-03 2.96127382e-04] [ 1.83777509e-03 -3.86193998e-03 -2.96126392e-04] [-1.83777441e-03 3.86193912e-03 -2.96124357e-04] [-1.87068752e-03 -7.08372537e-03 3.99789185e-04] [ 1.87068756e-03 7.08372398e-03 3.99788071e-04] [ 1.87068678e-03 -7.08372446e-03 -3.99787439e-04] [-1.87068660e-03 7.08372616e-03 -3.99788755e-04]] Final stress: [-8.26949305e-06 -1.08333654e-05 -5.54363121e-05 3.42675945e-12 -1.92507518e-14 1.48649805e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.98313751e-04 -2.19992537e-04 -2.86940077e-04] [ 2.98313731e-04 2.19992518e-04 -2.86940057e-04] [ 2.98313764e-04 -2.19992548e-04 2.86940086e-04] [-2.98313756e-04 2.19992546e-04 2.86940079e-04] [ 2.71771403e-04 2.22229367e-04 -3.65159853e-04] [-2.71771368e-04 -2.22229311e-04 -3.65159872e-04] [-2.71771400e-04 2.22229356e-04 3.65159860e-04] [ 2.71771466e-04 -2.22229470e-04 3.65159745e-04] [-9.21829691e-05 1.24095153e-04 -2.41904445e-04] [-9.21829648e-05 -1.24095177e-04 2.41904413e-04] [ 9.21829873e-05 -1.24095145e-04 -2.41904449e-04] [ 9.21829729e-05 1.24095178e-04 2.41904385e-04] [-6.74991090e-04 5.39280835e-04 -4.04076285e-05] [ 6.74991019e-04 5.39280888e-04 4.04075826e-05] [-6.74991093e-04 -5.39280816e-04 4.04076397e-05] [ 6.74991081e-04 -5.39280868e-04 -4.04076301e-05] [ 1.02046559e-04 6.08971217e-04 -3.13654660e-04] [-1.02046549e-04 -6.08971216e-04 -3.13654558e-04] [-1.02046575e-04 6.08971275e-04 3.13654660e-04] [ 1.02046558e-04 -6.08971272e-04 3.13654683e-04] [ 2.49578978e-04 5.11990941e-04 -1.37451848e-04] [-2.49579004e-04 -5.11990847e-04 -1.37451928e-04] [-2.49579050e-04 5.11990837e-04 1.37451917e-04] [ 2.49579053e-04 -5.11990905e-04 1.37451956e-04]] Final stress: [ 2.41860564e-07 4.16587559e-08 6.00757137e-07 4.64573111e-14 -7.51659161e-14 3.96784528e-14] Minimization converged after 104 steps. Minimization converged after 107 steps. Minimization converged after 83 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.00190673 -0.01053206 -0.01405112] [-0.00905773 -0.01156447 0.0008937 ] [-0.00905773 0.01156447 -0.0008937 ] [ 0.00190673 0.01053206 0.01405112] [ 0.00555164 0.00086139 0.00282683] [ 0.00719219 0.01156573 -0.00033693] [ 0.00719219 -0.01156573 0.00033693] [ 0.00555164 -0.00086139 -0.00282683] [ 0.00989001 -0.01605742 0.00065345] [ 0.00989001 0.01605742 -0.00065345] [ 0.00084443 0.00380703 0.00720786] [ 0.00084443 -0.00380703 -0.00720786] [-0.00612936 -0.00095662 0.00763181] [ 0.00030294 0.00561606 0.00114938] [-0.00612936 0.00095662 -0.00763181] [ 0.00030294 -0.00561606 -0.00114938] [ 0.00382457 0.00145602 0.00389528] [-0.0009604 -0.01156888 -0.0028028 ] [-0.0009604 0.01156888 0.0028028 ] [ 0.00382457 -0.00145602 -0.00389528] [-0.00428031 0.0072611 0.01062473] [-0.00908471 0.00344249 -0.0053815 ] [-0.00908471 -0.00344249 0.0053815 ] [-0.00428031 -0.0072611 -0.01062473]] Final stress: [-4.60010251e-05 -5.63991988e-05 2.48439694e-04 3.94219156e-04 -1.54825012e-13 1.26287119e-13] Minimization converged after 108 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.55319083e-03 -2.85625313e-04 -2.51804282e-04] [ 5.12890154e-04 2.01647923e-04 2.06676733e-03] [ 1.55319085e-03 -2.85625343e-04 2.51804308e-04] [-5.12890147e-04 2.01647916e-04 -2.06676734e-03] [ 5.70114899e-04 -1.79111834e-04 -2.66452015e-05] [ 6.46908412e-04 -9.03572137e-04 2.27449156e-04] [-5.70114924e-04 -1.79111785e-04 2.66451887e-05] [-6.46908381e-04 -9.03572185e-04 -2.27449202e-04] [-4.39947227e-04 1.69287559e-03 -1.49195749e-04] [-6.53825085e-06 -8.27140135e-04 1.08929444e-03] [ 6.53819224e-06 -8.27140178e-04 -1.08929437e-03] [ 4.39947181e-04 1.69287565e-03 1.49195666e-04] [-2.70127296e-04 6.03712184e-04 -1.39666162e-03] [ 2.70127290e-04 6.03712147e-04 1.39666162e-03] [ 9.81408052e-04 6.72625716e-04 -6.13403343e-04] [-9.81408069e-04 6.72625719e-04 6.13403354e-04] [-1.77760622e-04 -6.55282689e-04 -1.28590613e-03] [ 9.14110872e-04 1.12518661e-03 6.40900297e-04] [ 1.77760676e-04 -6.55282669e-04 1.28590609e-03] [-9.14110848e-04 1.12518653e-03 -6.40900221e-04] [ 9.60679546e-04 -5.94180346e-04 3.46954745e-04] [ 6.61138441e-04 -8.51135572e-04 -1.02714976e-05] [-9.60679560e-04 -5.94180316e-04 -3.46954698e-04] [-6.61138410e-04 -8.51135490e-04 1.02714692e-05]] Final stress: [ 3.00707707e-05 3.01319259e-05 -1.57390384e-05 8.64112609e-14 5.88953514e-05 8.11187701e-14] Minimization converged after 81 steps. Minimization converged after 84 steps. Minimization converged after 108 steps. Minimization converged after 103 steps. Minimization converged after 104 steps. Minimization converged after 104 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00132243 0.00253542 0.00214491] [-0.00132243 -0.00253542 0.00214491] [-0.00132243 0.00253542 -0.00214491] [ 0.00132243 -0.00253542 -0.00214491] [ 0.00022405 0.00648288 -0.00469714] [-0.00022405 -0.00648289 -0.00469714] [-0.00022405 0.00648288 0.00469714] [ 0.00022405 -0.00648288 0.00469714] [ 0.00391873 -0.00379156 -0.0019937 ] [ 0.00391873 0.00379156 0.0019937 ] [-0.00391874 0.00379156 -0.0019937 ] [-0.00391874 -0.00379156 0.0019937 ] [ 0.00298572 0.00209497 -0.00107657] [-0.00298572 0.00209497 0.00107657] [ 0.00298572 -0.00209498 0.00107657] [-0.00298572 -0.00209498 -0.00107657] [ 0.00457161 -0.00075698 -0.00687504] [-0.00457161 0.00075698 -0.00687504] [-0.00457161 -0.00075698 0.00687503] [ 0.00457161 0.00075698 0.00687504] [ 0.00268304 -0.00176864 -0.00553686] [-0.00268304 0.00176863 -0.00553686] [-0.00268304 -0.00176863 0.00553686] [ 0.00268304 0.00176863 0.00553686]] Final stress: [-6.84840532e-05 6.20952774e-06 4.38045398e-06 5.80061142e-13 2.90609761e-12 -3.08805472e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-0.00195389 -0.00441266 -0.00423541] [ 0.00195389 0.00441266 -0.00423541] [ 0.00195389 -0.00441266 0.00423541] [-0.00195389 0.00441266 0.00423541] [ 0.00050313 -0.01020515 0.00795344] [-0.00050313 0.01020515 0.00795344] [-0.00050313 -0.01020515 -0.00795344] [ 0.00050313 0.01020515 -0.00795344] [-0.00579615 0.00749044 0.00311749] [-0.00579615 -0.00749044 -0.00311749] [ 0.00579615 -0.00749044 0.00311749] [ 0.00579615 0.00749044 -0.00311749] [-0.00407361 -0.0019275 0.00213015] [ 0.00407361 -0.0019275 -0.00213015] [-0.00407361 0.0019275 -0.00213015] [ 0.00407361 0.0019275 0.00213015] [-0.00755934 0.00162975 0.01128019] [ 0.00755934 -0.00162975 0.01128018] [ 0.00755934 0.00162974 -0.01128018] [-0.00755934 -0.00162975 -0.01128019] [-0.0043519 0.00242701 0.00870343] [ 0.0043519 -0.00242701 0.00870343] [ 0.0043519 0.00242701 -0.00870343] [-0.0043519 -0.00242701 -0.00870343]] Final stress: [ 1.50228041e-04 3.48195833e-05 3.12099924e-05 -1.72655452e-12 3.35110882e-13 -2.22314431e-12] Minimization converged after 8 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 101 steps. Minimization converged after 100 steps. Minimization converged after 102 steps. Minimization converged after 98 steps. Minimization converged after 99 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.00976505 0.02013725 0.0307875 ] [ 0.034735 0.00429982 -0.02881867] [-0.00976505 0.02013725 -0.0307875 ] [-0.034735 0.00429982 0.02881867] [-0.00122017 -0.00462448 0.02159509] [-0.01585374 0.01569669 -0.00014435] [ 0.00122017 -0.00462448 -0.0215951 ] [ 0.01585375 0.01569668 0.00014435] [ 0.00220375 -0.01668603 -0.02266575] [ 0.01622229 -0.01151684 0.00379011] [-0.01622229 -0.01151684 -0.00379011] [-0.00220375 -0.01668603 0.02266575] [ 0.00718445 0.00041675 -0.01614164] [-0.00718445 0.00041675 0.01614164] [ 0.00023558 -0.02824238 0.03503966] [-0.00023558 -0.02824238 -0.03503966] [-0.01047999 -0.00081653 0.02513497] [-0.00708112 -0.00602908 -0.00345927] [ 0.01047999 -0.00081653 -0.02513497] [ 0.00708112 -0.00602909 0.00345927] [-0.01179067 0.02202236 -0.00544163] [-0.02951462 0.00534246 0.02874927] [ 0.01179067 0.02202236 0.00544163] [ 0.02951462 0.00534247 -0.02874927]] Final stress: [ 9.20893456e-04 2.85851197e-04 3.13874887e-04 -2.68045438e-13 -6.93017728e-04 3.56479034e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.04057254 -0.00817205 -0.03731717] [-0.01228059 -0.018685 0.03523425] [ 0.04057254 -0.00817205 0.03731717] [ 0.01228059 -0.018685 -0.03523425] [ 0.01914812 -0.01706234 -0.00288049] [ 0.00067815 0.00543423 0.02536563] [-0.01914812 -0.01706234 0.00288049] [-0.00067815 0.00543423 -0.02536563] [ 0.01939892 0.01369053 -0.00337231] [ 0.00369504 0.0163298 0.02417473] [-0.00369504 0.0163298 -0.02417473] [-0.01939892 0.01369053 0.0033723 ] [ 0.00211807 0.02756214 -0.03883162] [-0.00211807 0.02756214 0.03883162] [ 0.00625068 -0.00298052 0.01752751] [-0.00625068 -0.00298052 -0.01752751] [ 0.00851713 0.00615255 -0.0032242 ] [ 0.01816553 0.00485408 0.0249354 ] [-0.00851713 0.00615255 0.0032242 ] [-0.01816553 0.00485408 -0.0249354 ] [ 0.03214804 -0.00124214 0.0345884 ] [ 0.01110771 -0.02588129 -0.00638849] [-0.03214804 -0.00124214 -0.0345884 ] [-0.01110771 -0.02588128 0.00638849]] Final stress: [1.12888350e-03 3.89863020e-04 4.30213832e-04 4.60390527e-13 7.44534518e-04 1.54797614e-12] Minimization converged after 107 steps. Minimization converged after 100 steps. Minimization converged after 81 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.0020283 0.00138681 0.00237206] [-0.0020283 -0.00138681 0.00237206] [-0.0020283 0.00138681 -0.00237206] [ 0.0020283 -0.00138681 -0.00237206] [-0.00122786 0.00253818 0.00171981] [ 0.00122786 -0.00253818 0.00171981] [ 0.00122786 0.00253818 -0.00171981] [-0.00122786 -0.00253818 -0.00171981] [-0.00411571 -0.00010396 0.00563746] [-0.00411571 0.00010396 -0.00563746] [ 0.00411571 0.00010396 0.00563746] [ 0.00411571 -0.00010396 -0.00563746] [-0.00168117 0.00336197 -0.00351388] [ 0.00168117 0.00336197 0.00351388] [-0.00168117 -0.00336197 0.00351388] [ 0.00168117 -0.00336197 -0.00351388] [-0.00604456 0.00380019 -0.00073557] [ 0.00604456 -0.00380018 -0.00073557] [ 0.00604456 0.00380019 0.00073557] [-0.00604456 -0.00380019 0.00073557] [-0.00437295 0.00258514 -0.00128764] [ 0.00437295 -0.00258513 -0.00128764] [ 0.00437295 0.00258513 0.00128764] [-0.00437295 -0.00258513 0.00128764]] Final stress: [-4.56614060e-06 -6.73472852e-05 -3.05335732e-06 -2.83913805e-12 1.41274096e-13 3.30960274e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-0.00281648 -0.00127289 -0.00291439] [ 0.00281648 0.00127289 -0.00291439] [ 0.00281648 -0.00127289 0.00291439] [-0.00281648 0.00127289 0.00291439] [ 0.00144971 -0.00269688 -0.00134909] [-0.00144971 0.00269687 -0.00134909] [-0.00144971 -0.00269687 0.00134909] [ 0.00144971 0.00269687 0.00134909] [ 0.00526596 0.00041215 -0.00686254] [ 0.00526596 -0.00041215 0.00686253] [-0.00526597 -0.00041215 -0.00686253] [-0.00526596 0.00041215 0.00686254] [ 0.00207557 -0.00384349 0.00510824] [-0.00207557 -0.00384349 -0.00510824] [ 0.00207557 0.00384349 -0.00510824] [-0.00207557 0.00384349 0.00510824] [ 0.00759327 -0.00494771 0.00109786] [-0.00759327 0.00494771 0.00109786] [-0.00759327 -0.00494771 -0.00109786] [ 0.00759327 0.00494772 -0.00109786] [ 0.00566993 -0.00293397 0.00160677] [-0.00566993 0.00293397 0.00160677] [-0.00566993 -0.00293397 -0.00160677] [ 0.00566993 0.00293398 -0.00160677]] Final stress: [ 1.83327600e-05 9.66924091e-05 2.04318041e-05 -1.86516388e-12 -6.70813133e-13 1.01713070e-12] Minimization converged after 8 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 98 steps. Minimization converged after 96 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 3.58502946e-05 -1.01486682e-03 1.85830109e-04] [-1.38433965e-04 -1.58183987e-04 7.80207849e-04] [-1.38433946e-04 1.58183972e-04 -7.80207831e-04] [ 3.58503197e-05 1.01486681e-03 -1.85830131e-04] [-2.47942633e-04 6.90958421e-04 1.12174348e-04] [ 9.23992019e-04 6.45291295e-05 2.36119063e-04] [ 9.23992021e-04 -6.45291363e-05 -2.36119037e-04] [-2.47942653e-04 -6.90958391e-04 -1.12174365e-04] [ 3.84182368e-04 -3.44620087e-04 -5.30443893e-04] [ 3.84182382e-04 3.44620088e-04 5.30443901e-04] [ 3.12970197e-04 -6.98514015e-04 1.84990315e-04] [ 3.12970230e-04 6.98513999e-04 -1.84990293e-04] [-5.25511037e-04 -1.93377745e-04 2.93569674e-04] [ 1.17292300e-05 7.35706360e-05 2.97807404e-04] [-5.25511095e-04 1.93377774e-04 -2.93569636e-04] [ 1.17293299e-05 -7.35705668e-05 -2.97807471e-04] [ 5.65465668e-04 -2.76439175e-04 4.82672504e-04] [-4.01342348e-04 -5.35390911e-04 7.81790309e-05] [-4.01342420e-04 5.35390859e-04 -7.81790037e-05] [ 5.65465603e-04 2.76439174e-04 -4.82672542e-04] [-5.04711026e-04 1.47110319e-04 4.96159360e-04] [-4.16248799e-04 1.50591348e-04 -4.91581289e-04] [-4.16248765e-04 -1.50591343e-04 4.91581239e-04] [-5.04710980e-04 -1.47110345e-04 -4.96159304e-04]] Final stress: [-1.30748140e-05 6.95891622e-06 -1.30889420e-05 2.62814041e-05 -1.32485628e-13 -3.14955368e-14] Minimization converged after 103 steps. Minimization converged after 100 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 2.60097764e-03 -2.56286814e-03 7.02847618e-03] [ 6.67406007e-04 2.89131905e-03 9.96657129e-05] [-2.60097763e-03 -2.56286817e-03 -7.02847615e-03] [-6.67406032e-04 2.89131908e-03 -9.96656968e-05] [-6.28635312e-03 3.12045546e-03 1.74218941e-03] [ 2.31386308e-03 -3.61382283e-05 2.16964386e-03] [ 6.28635301e-03 3.12045562e-03 -1.74218948e-03] [-2.31386301e-03 -3.61383500e-05 -2.16964395e-03] [ 1.42607094e-03 -7.29704781e-04 -3.07655331e-03] [ 4.01488016e-04 -2.51426087e-03 -4.67696310e-04] [-4.01488060e-04 -2.51426087e-03 4.67696335e-04] [-1.42607095e-03 -7.29704757e-04 3.07655330e-03] [-8.15305401e-06 -2.84464076e-03 2.55438885e-03] [ 8.15304467e-06 -2.84464079e-03 -2.55438886e-03] [-4.32368621e-03 -3.11367808e-03 3.90170296e-03] [ 4.32368615e-03 -3.11367811e-03 -3.90170290e-03] [ 2.62766161e-03 1.14790422e-03 4.65611611e-03] [-3.25391374e-03 -1.43568585e-04 -9.13245175e-04] [-2.62766150e-03 1.14790431e-03 -4.65611611e-03] [ 3.25391375e-03 -1.43568711e-04 9.13245279e-04] [-2.69823271e-03 2.81216977e-03 -4.00108050e-04] [-3.78779376e-03 1.97301093e-03 9.36250428e-04] [ 2.69823268e-03 2.81216972e-03 4.00107997e-04] [ 3.78779384e-03 1.97301103e-03 -9.36250429e-04]] Final stress: [-5.95243452e-05 9.19097956e-05 -5.33363706e-05 -8.51672713e-14 -2.06495252e-04 1.32324096e-13] Minimization converged after 97 steps. Minimization converged after 104 steps. Minimization converged after 99 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 6.97356117e-04 -1.21029292e-04 5.56349176e-04] [-6.97356104e-04 1.21029306e-04 5.56349162e-04] [ 5.11501211e-04 -7.43224900e-04 -4.14757756e-04] [-5.11501214e-04 7.43224897e-04 -4.14757756e-04] [-8.57690407e-05 6.60836877e-04 -1.89256978e-04] [ 8.57690385e-05 -6.60836880e-04 -1.89256983e-04] [ 1.10631401e-03 -3.33251334e-05 -5.26296103e-04] [-1.10631402e-03 3.33251407e-05 -5.26296092e-04] [ 1.70078892e-04 -1.08883856e-04 7.19015530e-05] [-8.93776060e-05 -4.82001494e-04 4.30632130e-04] [-1.70078894e-04 1.08883855e-04 7.19015490e-05] [ 8.93775841e-05 4.82001509e-04 4.30632112e-04] [-6.35449071e-04 -7.31575839e-06 -3.35449637e-04] [-1.05107491e-04 -1.09404421e-04 -3.27972859e-04] [ 1.05107522e-04 1.09404385e-04 -3.27972882e-04] [ 6.35449057e-04 7.31576177e-06 -3.35449632e-04] [ 9.11844347e-04 -6.29386701e-05 1.93456558e-04] [-9.11844363e-04 6.29386907e-05 1.93456544e-04] [-6.89475208e-05 3.24777625e-04 -3.57899854e-04] [ 6.89475503e-05 -3.24777629e-04 -3.57899840e-04] [-2.08455818e-04 -5.07129109e-04 4.53871007e-04] [ 2.08455824e-04 5.07129080e-04 4.53871013e-04] [-1.24903991e-04 5.01480273e-04 4.45422790e-04] [ 1.24903974e-04 -5.01480257e-04 4.45422779e-04]] Final stress: [-1.32335069e-05 7.05883390e-06 -1.31635568e-05 3.97241301e-15 3.10803969e-14 -2.67765031e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-2.38406107e-02 -3.02493668e-02 -2.12449168e-03] [ 2.38406104e-02 3.02493663e-02 -2.12449117e-03] [-2.61384273e-02 7.16271272e-03 -1.83372106e-02] [ 2.61384266e-02 -7.16271194e-03 -1.83372097e-02] [-3.11140663e-02 6.79260406e-04 2.43579435e-02] [ 3.11140661e-02 -6.79260617e-04 2.43579437e-02] [ 1.33574029e-02 7.67180035e-03 1.80998758e-04] [-1.33574027e-02 -7.67180080e-03 1.80999594e-04] [-1.36001908e-04 1.40289805e-02 -1.35162724e-02] [ 1.73171248e-02 1.19338705e-03 3.35796618e-03] [ 1.36003346e-04 -1.40289791e-02 -1.35162743e-02] [-1.73171236e-02 -1.19338866e-03 3.35796863e-03] [-2.60619856e-03 1.26688988e-02 9.98703084e-03] [ 2.05097209e-02 1.34110258e-03 1.48640292e-02] [-2.05097199e-02 -1.34110251e-03 1.48640285e-02] [ 2.60619774e-03 -1.26689004e-02 9.98703126e-03] [-2.26054363e-03 6.35099126e-03 5.68356172e-03] [ 2.26054229e-03 -6.35099162e-03 5.68355945e-03] [-2.22125066e-02 -8.00063573e-03 3.46702843e-05] [ 2.22125066e-02 8.00063718e-03 3.46686780e-05] [ 2.30467484e-02 2.49306128e-02 -5.61015066e-03] [-2.30467483e-02 -2.49306104e-02 -5.61014876e-03] [ 5.09910344e-03 -1.02268814e-02 -1.88780756e-02] [-5.09910398e-03 1.02268802e-02 -1.88780754e-02]] Final stress: [ 2.07158036e-04 7.53771708e-04 1.84212257e-04 -3.61429753e-12 1.42050659e-12 6.40471059e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00239512 0.00204875 0.00140121] [-0.00239512 -0.00204875 0.00140121] [-0.00239512 0.00204875 -0.00140121] [ 0.00239512 -0.00204875 -0.00140121] [-0.0035509 -0.00169238 0.00339427] [ 0.0035509 0.00169238 0.00339427] [ 0.0035509 -0.00169238 -0.00339427] [-0.0035509 0.00169238 -0.00339427] [ 0.00173214 -0.00124386 0.00256091] [ 0.00173214 0.00124386 -0.00256091] [-0.00173214 0.00124386 0.00256091] [-0.00173214 -0.00124386 -0.00256091] [ 0.00569031 -0.00415566 -0.00011284] [-0.00569031 -0.00415566 0.00011284] [ 0.0056903 0.00415566 0.00011284] [-0.0056903 0.00415566 -0.00011284] [-0.00074951 -0.00610469 0.00382275] [ 0.00074951 0.00610469 0.00382275] [ 0.00074951 -0.00610469 -0.00382275] [-0.00074951 0.00610469 -0.00382275] [-0.00128975 -0.00440264 0.00261402] [ 0.00128975 0.00440264 0.00261402] [ 0.00128974 -0.00440264 -0.00261402] [-0.00128974 0.00440265 -0.00261402]] Final stress: [-3.19351552e-06 -4.72438409e-06 -6.79838227e-05 1.72664107e-12 -1.66693921e-12 4.35155643e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-0.00112437 -0.00111607 -0.00045233] [ 0.00112437 0.00111607 -0.00045233] [ 0.00112437 -0.00111607 0.00045233] [-0.00112437 0.00111607 0.00045233] [ 0.00212732 0.00079422 -0.00149567] [-0.00212733 -0.00079422 -0.00149567] [-0.00212732 0.00079422 0.00149567] [ 0.00212732 -0.00079422 0.00149567] [-0.00056163 0.00058763 -0.00105327] [-0.00056163 -0.00058763 0.00105327] [ 0.00056163 -0.00058763 -0.00105327] [ 0.00056163 0.00058763 0.00105327] [-0.00274145 0.00204038 0.00023415] [ 0.00274145 0.00204038 -0.00023415] [-0.00274145 -0.00204038 -0.00023415] [ 0.00274145 -0.00204038 0.00023415] [ 0.0004501 0.00305707 -0.00189568] [-0.0004501 -0.00305707 -0.00189568] [-0.0004501 0.00305707 0.00189568] [ 0.0004501 -0.00305707 0.00189568] [ 0.00061307 0.00214313 -0.00119283] [-0.00061307 -0.00214313 -0.00119283] [-0.00061307 0.00214313 0.00119283] [ 0.00061307 -0.00214313 0.00119283]] Final stress: [ 5.99234224e-06 5.31864435e-06 3.38691391e-05 -1.11066544e-12 -1.59480549e-13 -3.49423020e-13] Minimization converged after 104 steps. Minimization converged after 108 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.01867114 0.02683494 0.0075528 ] [ 0.00244007 0.02456301 -0.03095872] [ 0.00244007 -0.02456301 0.03095872] [ 0.01867114 -0.02683494 -0.0075528 ] [-0.01523577 -0.02095657 0.00138769] [-0.01018183 0.00284411 0.01314076] [-0.01018183 -0.00284411 -0.01314076] [-0.01523577 0.02095656 -0.00138769] [-0.00011715 -0.01378206 0.00762275] [-0.00011715 0.01378206 -0.00762275] [-0.02503055 0.03163784 0.00074193] [-0.02503055 -0.03163784 -0.00074193] [-0.00349829 0.01796541 -0.00117492] [ 0.01381839 -0.00013327 -0.01429675] [-0.00349829 -0.01796541 0.00117492] [ 0.01381839 0.00013326 0.01429675] [-0.00018687 0.0227279 -0.00838839] [-0.00576924 0.00238143 0.00641644] [-0.00576924 -0.00238143 -0.00641644] [-0.00018687 -0.0227279 0.00838839] [ 0.01944616 -0.00527698 -0.01039651] [ 0.00564396 -0.02385908 0.02560106] [ 0.00564396 0.02385908 -0.02560106] [ 0.01944616 0.00527698 0.0103965 ]] Final stress: [ 1.98854430e-04 2.22473316e-04 7.76819916e-04 -6.47735804e-04 1.38179628e-12 1.72130145e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-1.92717250e-03 -2.33608799e-02 -2.97710735e-02] [-1.81052605e-02 -2.56628262e-02 6.90673708e-03] [-1.81052608e-02 2.56628265e-02 -6.90673722e-03] [-1.92717202e-03 2.33608795e-02 2.97710731e-02] [ 9.86140901e-03 -2.44319253e-03 1.23564807e-02] [ 1.45946638e-02 2.01747864e-02 1.28082747e-03] [ 1.45946646e-02 -2.01747876e-02 -1.28082634e-03] [ 9.86140814e-03 2.44319351e-03 -1.23564803e-02] [ 2.38784248e-02 -3.07515712e-02 6.35496300e-04] [ 2.38784257e-02 3.07515712e-02 -6.35496207e-04] [ 2.29490563e-04 1.30640605e-02 7.70753041e-03] [ 2.29490015e-04 -1.30640603e-02 -7.70753079e-03] [-1.33040588e-02 -1.36888431e-04 1.38350975e-02] [ 3.26384100e-03 1.68511739e-02 1.18931227e-03] [-1.33040598e-02 1.36888882e-04 -1.38350970e-02] [ 3.26384090e-03 -1.68511737e-02 -1.18931234e-03] [ 5.68260263e-03 -2.16976791e-03 6.30080425e-03] [-1.70588723e-05 -2.18409006e-02 -7.71205757e-03] [-1.70598369e-05 2.18408998e-02 7.71205731e-03] [ 5.68260261e-03 2.16976806e-03 -6.30080499e-03] [-5.62620984e-03 2.24800694e-02 2.44753948e-02] [-1.85306708e-02 4.95444696e-03 -1.01115768e-02] [-1.85306691e-02 -4.95444641e-03 1.01115761e-02] [-5.62621107e-03 -2.24800698e-02 -2.44753943e-02]] Final stress: [ 1.73696456e-04 1.96162141e-04 7.37352814e-04 6.34892749e-04 -1.36419231e-13 -1.15711758e-12] Minimization converged after 95 steps. Minimization converged after 97 steps. Minimization converged after 82 steps. Minimization converged after 79 steps. Minimization converged after 96 steps. Minimization converged after 101 steps. Minimization converged after 99 steps. Minimization converged after 97 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 10 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 10 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 10 steps. Minimization converged after 12 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 10 steps. Minimization converged after 12 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 10 steps. Minimization converged after 12 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0.15996 0.05485 0.05251 0.00002 -0.00001 0. ] [ 0.05485 0.15983 0.0384 0. -81.22355 -0. ] [ 0.05251 0.0384 0.15984 0. -0. 0.00003] [ 0.00002 0. 0. 0.16529 -0. -0. ] [ -0.00001 -81.22355 -0. -0. 0.16529 -0.00003] [ 0. -0. 0.00003 -0. -0.00003 0.16527]] 95%% Error estimate [ASE units]: [[ 29.87932 14.09248 12.82489 0.58522 3.41322 0. ] [ 14.09248 22.53172 4.19289 0.02171 969.89964 8.21162] [ 12.82489 4.19289 22.53172 0.0266 7065.80168 46.50586] [ 0.58522 0.02171 0.0266 0.00012 0. 0. ] [ 3.41322 969.89964 7065.80168 0. 0.00012 0.00019] [ 0. 8.21162 46.50586 0. 0.00019 0.00016]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 3532.900842 is too big compared to maximum elastic constant component 81.223553 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 81.223553 WARNING: Maximum deviation from material symmetry according to space group 198 is too big compared to maximum elastic constant component 81.223553 [ASE units] and requested fractional tolerance 0.010000. Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.01,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 0 steps. Minimization converged after 59 steps. Minimization converged after 45 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-0.02731632 0.01139979 0.00341891] [ 0.02731632 -0.01139979 0.00341891] [ 0.02731632 0.01139979 -0.00341891] [-0.02731632 -0.01139979 -0.00341891] [ 0.03532425 0.17075837 0.07415166] [-0.03532425 -0.17075837 0.07415166] [-0.03532425 0.17075837 -0.07415166] [ 0.03532425 -0.17075837 -0.07415166] [ 0.10063876 0.0019667 0.06454001] [ 0.10063876 -0.0019667 -0.06454001] [-0.10063876 -0.0019667 0.06454001] [-0.10063876 0.0019667 -0.06454001] [-0.03662828 0.08068616 -0.06206981] [ 0.03662828 0.08068616 0.06206981] [-0.03662828 -0.08068616 0.06206981] [ 0.03662828 -0.08068616 -0.06206981] [ 0.07697646 0.03062714 -0.0615136 ] [-0.07697646 -0.03062714 -0.0615136 ] [-0.07697646 0.03062714 0.0615136 ] [ 0.07697646 -0.03062714 0.0615136 ] [ 0.0927113 0.08427353 0.01657111] [-0.0927113 -0.08427353 0.01657111] [-0.0927113 0.08427353 -0.01657111] [ 0.0927113 -0.08427353 -0.01657111]] Final stress: [ 4.89020495e-03 4.02066730e-03 4.99172623e-03 -7.81830725e-16 3.34017961e-16 3.24027343e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.03897875 -0.06123201 0.03609127] [-0.03897875 0.06123201 0.03609127] [-0.03897875 -0.06123201 -0.03609127] [ 0.03897875 0.06123201 -0.03609127] [-0.06214908 -0.02322334 -0.00894874] [ 0.06214908 0.02322334 -0.00894874] [ 0.06214908 -0.02322334 0.00894874] [-0.06214908 0.02322334 0.00894874] [ 0.02492076 0.03390854 0.02537953] [ 0.02492076 -0.03390854 -0.02537953] [-0.02492076 -0.03390854 0.02537953] [-0.02492076 0.03390854 -0.02537953] [-0.03633555 0.01925104 0.04560327] [ 0.03633555 0.01925104 -0.04560327] [-0.03633555 -0.01925104 -0.04560327] [ 0.03633555 -0.01925104 0.04560327] [ 0.01000277 0.00834514 -0.0038744 ] [-0.01000277 -0.00834514 -0.0038744 ] [-0.01000277 0.00834514 0.0038744 ] [ 0.01000277 -0.00834514 0.0038744 ] [ 0.04029302 0.05179897 -0.11133546] [-0.04029302 -0.05179897 -0.11133546] [-0.04029302 0.05179897 0.11133546] [ 0.04029302 -0.05179897 0.11133546]] Final stress: [ 2.24255887e-03 -3.41732680e-04 7.18223850e-04 -3.06969279e-15 8.97139557e-16 3.68918317e-15] Minimization converged after 54 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.01139969 0.00341882 -0.02731639] [-0.01139969 -0.00341882 -0.02731639] [-0.01139969 0.00341882 0.02731639] [ 0.01139969 -0.00341882 0.02731639] [ 0.00196671 0.0645397 0.10063886] [-0.00196671 -0.0645397 0.10063886] [-0.00196671 0.0645397 -0.10063886] [ 0.00196671 -0.0645397 -0.10063886] [ 0.08068631 -0.06206978 -0.03662839] [ 0.08068631 0.06206978 0.03662839] [-0.08068631 0.06206978 -0.03662839] [-0.08068631 -0.06206978 0.03662839] [ 0.17075817 0.07415173 0.03532427] [-0.17075817 0.07415173 -0.03532427] [ 0.17075817 -0.07415173 -0.03532427] [-0.17075817 -0.07415173 0.03532427] [ 0.03062729 -0.06151334 0.07697662] [-0.03062729 0.06151334 0.07697662] [-0.03062729 -0.06151334 -0.07697662] [ 0.03062729 0.06151334 -0.07697662] [ 0.08427344 0.01657088 0.09271117] [-0.08427344 -0.01657088 0.09271117] [-0.08427344 0.01657088 -0.09271117] [ 0.08427344 -0.01657088 -0.09271117]] Final stress: [ 4.02067509e-03 4.99173252e-03 4.89021162e-03 -3.15951407e-15 -1.90807736e-15 2.58761780e-15] Minimization converged after 53 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.06123199 0.03609126 0.03897867] [ 0.06123199 -0.03609126 0.03897867] [ 0.06123199 0.03609126 -0.03897867] [-0.06123199 -0.03609126 -0.03897867] [ 0.03390855 0.02537961 0.02492077] [-0.03390855 -0.02537961 0.02492077] [-0.03390855 0.02537961 -0.02492077] [ 0.03390855 -0.02537961 -0.02492077] [ 0.01925095 0.0456032 -0.03633573] [ 0.01925095 -0.0456032 0.03633573] [-0.01925095 -0.0456032 -0.03633573] [-0.01925095 0.0456032 0.03633573] [-0.02322351 -0.0089489 -0.06214916] [ 0.02322351 -0.0089489 0.06214916] [-0.02322351 0.0089489 0.06214916] [ 0.02322351 0.0089489 -0.06214916] [ 0.00834517 -0.00387464 0.01000293] [-0.00834517 0.00387464 0.01000293] [-0.00834517 -0.00387464 -0.01000293] [ 0.00834517 0.00387464 -0.01000293] [ 0.05179879 -0.11133538 0.04029297] [-0.05179879 0.11133538 0.04029297] [-0.05179879 -0.11133538 -0.04029297] [ 0.05179879 0.11133538 -0.04029297]] Final stress: [-3.41733523e-04 7.18222123e-04 2.24255982e-03 2.55365816e-15 7.08226900e-15 -6.40224852e-15] Minimization converged after 58 steps. Minimization converged after 96 steps. Minimization converged after 96 steps. Minimization converged after 94 steps. Minimization converged after 93 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 87 steps. Minimization converged after 87 steps. Minimization converged after 98 steps. Minimization converged after 100 steps. Minimization converged after 83 steps. Minimization converged after 83 steps. Minimization converged after 59 steps. Minimization converged after 45 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 0.00341887 -0.02731636 0.01139974] [-0.00341887 0.02731636 0.01139974] [-0.00341887 -0.02731636 -0.01139974] [ 0.00341887 0.02731636 -0.01139974] [-0.06206979 -0.03662833 0.08068622] [ 0.06206979 0.03662833 0.08068622] [ 0.06206979 -0.03662833 -0.08068622] [-0.06206979 0.03662833 -0.08068622] [ 0.0741517 0.03532427 0.17075828] [ 0.0741517 -0.03532427 -0.17075828] [-0.0741517 -0.03532427 0.17075828] [-0.0741517 0.03532427 -0.17075828] [ 0.06453987 0.1006388 0.00196671] [-0.06453987 0.1006388 -0.00196671] [ 0.06453987 -0.1006388 -0.00196671] [-0.06453987 -0.1006388 0.00196671] [-0.06151349 0.07697653 0.03062722] [ 0.06151349 -0.07697653 0.03062722] [ 0.06151349 0.07697653 -0.03062722] [-0.06151349 -0.07697653 -0.03062722] [ 0.01657098 0.09271123 0.08427347] [-0.01657098 -0.09271123 0.08427347] [-0.01657098 0.09271123 -0.08427347] [ 0.01657098 -0.09271123 -0.08427347]] Final stress: [ 4.99172922e-03 4.89020777e-03 4.02067061e-03 -2.34486020e-15 -1.92647743e-15 -4.95526794e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.03609125 0.03897844 -0.06123192] [-0.03609125 -0.03897844 -0.06123192] [-0.03609125 0.03897844 0.06123192] [ 0.03609125 -0.03897844 0.06123192] [ 0.04560334 -0.03633583 0.01925083] [-0.04560334 0.03633583 0.01925083] [-0.04560334 -0.03633583 -0.01925083] [ 0.04560334 0.03633583 -0.01925083] [-0.00894925 -0.06214946 -0.02322386] [-0.00894925 0.06214946 0.02322386] [ 0.00894925 0.06214946 -0.02322386] [ 0.00894925 -0.06214946 0.02322386] [ 0.02537957 0.02492076 0.03390846] [-0.02537957 0.02492076 -0.03390846] [ 0.02537957 -0.02492076 -0.03390846] [-0.02537957 -0.02492076 0.03390846] [-0.0038749 0.01000291 0.00834539] [ 0.0038749 -0.01000291 0.00834539] [ 0.0038749 0.01000291 -0.00834539] [-0.0038749 -0.01000291 -0.00834539] [-0.11133546 0.040293 0.05179853] [ 0.11133546 -0.040293 0.05179853] [ 0.11133546 0.040293 -0.05179853] [-0.11133546 -0.040293 -0.05179853]] Final stress: [ 7.18218221e-04 2.24256167e-03 -3.41735462e-04 2.07489762e-15 -2.28852099e-15 8.70206507e-16] Minimization converged after 52 steps. Minimization converged after 58 steps. Minimization converged after 100 steps. Minimization converged after 100 steps. Minimization converged after 81 steps. Minimization converged after 86 steps. Minimization converged after 96 steps. Minimization converged after 96 steps. Minimization converged after 93 steps. Minimization converged after 93 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 87 steps. Minimization converged after 87 steps. Minimization converged after 59 steps. Minimization converged after 45 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 87 steps. Minimization converged after 87 steps. Minimization converged after 100 steps. Minimization converged after 101 steps. Minimization converged after 83 steps. Minimization converged after 81 steps. Minimization converged after 96 steps. Minimization converged after 96 steps. Minimization converged after 93 steps. Minimization converged after 93 steps. Minimization converged after 94 steps. Minimization converged after 95 steps. Minimization converged after 136 steps. Minimization converged after 137 steps. Minimization converged after 135 steps. Minimization converged after 137 steps. Minimization converged after 136 steps. Minimization converged after 136 steps. Minimization converged after 137 steps. Minimization converged after 138 steps. Minimization converged after 95 steps. Minimization converged after 94 steps. Minimization converged after 137 steps. Minimization converged after 137 steps. Minimization converged after 137 steps. Minimization converged after 140 steps. Minimization converged after 94 steps. Minimization converged after 94 steps. Minimization converged after 59 steps. Minimization converged after 48 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.00921876 -0.0037747 -0.00928211] [ 0.00921876 0.0037747 -0.00928211] [ 0.00921876 -0.0037747 0.00928211] [-0.00921876 0.0037747 0.00928211] [ 0.01033609 0.06025853 0.02213703] [-0.01033609 -0.06025853 0.02213703] [-0.01033609 0.06025853 -0.02213703] [ 0.01033609 -0.06025853 -0.02213703] [ 0.02348374 -0.00371917 0.02784623] [ 0.02348374 0.00371917 -0.02784623] [-0.02348374 0.00371917 0.02784623] [-0.02348374 -0.00371917 -0.02784623] [-0.00730436 0.02302947 -0.02471706] [ 0.00730436 0.02302947 0.02471706] [-0.00730436 -0.02302947 0.02471706] [ 0.00730436 -0.02302947 -0.02471706] [ 0.02692786 0.02139373 -0.02297804] [-0.02692786 -0.02139373 -0.02297804] [-0.02692786 0.02139373 0.02297804] [ 0.02692786 -0.02139373 0.02297804] [ 0.03092878 0.02894551 0.00326983] [-0.03092878 -0.02894551 0.00326983] [-0.03092878 0.02894551 -0.00326983] [ 0.03092878 -0.02894551 -0.00326983]] Final stress: [ 2.30175598e-03 2.05061389e-03 1.63667488e-03 2.32205936e-15 -1.43595797e-15 -1.79759962e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.01942768 -0.03972223 0.02615572] [-0.01942768 0.03972223 0.02615572] [-0.01942768 -0.03972223 -0.02615572] [ 0.01942768 0.03972223 -0.02615572] [-0.04744114 -0.0032178 -0.00138134] [ 0.04744114 0.0032178 -0.00138134] [ 0.04744114 -0.0032178 0.00138134] [-0.04744114 0.0032178 0.00138134] [ 0.0257994 0.01696219 0.01950467] [ 0.0257994 -0.01696219 -0.01950467] [-0.0257994 -0.01696219 0.01950467] [-0.0257994 0.01696219 -0.01950467] [-0.02372415 -0.00608466 0.04002098] [ 0.02372415 -0.00608466 -0.04002098] [-0.02372415 0.00608466 -0.04002098] [ 0.02372415 0.00608466 0.04002098] [ 0.0087215 -0.00979982 0.00572038] [-0.0087215 0.00979982 0.00572038] [-0.0087215 -0.00979982 -0.00572038] [ 0.0087215 0.00979982 -0.00572038] [ 0.03694833 0.04149417 -0.08057895] [-0.03694833 -0.04149417 -0.08057895] [-0.03694833 0.04149417 0.08057895] [ 0.03694833 -0.04149417 0.08057895]] Final stress: [ 1.31135675e-03 -5.46001068e-04 3.25342473e-04 2.03085087e-15 -9.06881331e-16 2.09385158e-15] Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[ 0.04409017 0.00487366 0.00322132] [-0.04409017 -0.00487366 0.00322132] [-0.04409017 0.00487366 -0.00322132] [ 0.04409017 -0.00487366 -0.00322132] [ 0.03105283 0.01458297 -0.03271985] [-0.03105283 -0.01458297 -0.03271985] [-0.03105283 0.01458297 0.03271985] [ 0.03105283 -0.01458297 0.03271985] [ 0.03299942 0.01589354 0.0014836 ] [ 0.03299942 -0.01589354 -0.0014836 ] [-0.03299942 -0.01589354 0.0014836 ] [-0.03299942 0.01589354 -0.0014836 ] [-0.04903537 0.06378627 -0.01961917] [ 0.04903537 0.06378627 0.01961917] [-0.04903537 -0.06378627 0.01961917] [ 0.04903537 -0.06378627 -0.01961917] [ 0.01700175 0.00557119 -0.02928037] [-0.01700175 -0.00557119 -0.02928037] [-0.01700175 0.00557119 0.02928037] [ 0.01700175 -0.00557119 0.02928037] [-0.01559986 0.10221319 -0.09904547] [ 0.01559986 -0.10221319 -0.09904547] [ 0.01559986 0.10221319 0.09904547] [-0.01559986 -0.10221319 0.09904547]] Final stress: [5.58969436e-03 1.88745138e-03 1.33907464e-03 2.80417082e-13 4.05269739e-13 4.64717259e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.00377469 -0.00928211 -0.00921875] [ 0.00377469 0.00928211 -0.00921875] [ 0.00377469 -0.00928211 0.00921875] [-0.00377469 0.00928211 0.00921875] [-0.00371915 0.02784623 0.02348374] [ 0.00371915 -0.02784623 0.02348374] [ 0.00371915 0.02784623 -0.02348374] [-0.00371915 -0.02784623 -0.02348374] [ 0.02302946 -0.02471704 -0.00730435] [ 0.02302946 0.02471704 0.00730435] [-0.02302946 0.02471704 -0.00730435] [-0.02302946 -0.02471704 0.00730435] [ 0.06025853 0.02213703 0.0103361 ] [-0.06025853 0.02213703 -0.0103361 ] [ 0.06025853 -0.02213703 -0.0103361 ] [-0.06025853 -0.02213703 0.0103361 ] [ 0.02139373 -0.02297804 0.02692786] [-0.02139373 0.02297804 0.02692786] [-0.02139373 -0.02297804 -0.02692786] [ 0.02139373 0.02297804 -0.02692786] [ 0.02894549 0.00326982 0.03092876] [-0.02894549 -0.00326982 0.03092876] [-0.02894549 0.00326982 -0.03092876] [ 0.02894549 -0.00326982 -0.03092876]] Final stress: [ 2.05061379e-03 1.63667468e-03 2.30175590e-03 -1.06470996e-15 -1.43609724e-15 7.17183118e-15] Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.03972213 0.02615586 0.01942769] [ 0.03972213 -0.02615586 0.01942769] [ 0.03972213 0.02615586 -0.01942769] [-0.03972213 -0.02615586 -0.01942769] [ 0.01696206 0.01950475 0.02579905] [-0.01696206 -0.01950475 0.02579905] [-0.01696206 0.01950475 -0.02579905] [ 0.01696206 -0.01950475 -0.02579905] [-0.00608431 0.04002137 -0.02372384] [-0.00608431 -0.04002137 0.02372384] [ 0.00608431 -0.04002137 -0.02372384] [ 0.00608431 0.04002137 0.02372384] [-0.00321702 -0.00138043 -0.04744086] [ 0.00321702 -0.00138043 0.04744086] [-0.00321702 0.00138043 0.04744086] [ 0.00321702 0.00138043 -0.04744086] [-0.00980007 0.00572111 0.00872117] [ 0.00980007 -0.00572111 0.00872117] [ 0.00980007 0.00572111 -0.00872117] [-0.00980007 -0.00572111 -0.00872117] [ 0.04149482 -0.08057881 0.0369482 ] [-0.04149482 0.08057881 0.0369482 ] [-0.04149482 -0.08057881 -0.0369482 ] [ 0.04149482 0.08057881 -0.0369482 ]] Final stress: [-5.46000959e-04 3.25347719e-04 1.31135279e-03 -5.24666360e-16 5.89842939e-16 2.66590352e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[ 0.00488371 0.0032638 0.04393212] [-0.00488371 -0.0032638 0.04393212] [-0.00488371 0.0032638 -0.04393212] [ 0.00488371 -0.0032638 -0.04393212] [ 0.01584683 0.00149108 0.03293172] [-0.01584683 -0.00149108 0.03293172] [-0.01584683 0.00149108 -0.03293172] [ 0.01584683 -0.00149108 -0.03293172] [ 0.06361004 -0.01962811 -0.04890229] [ 0.06361004 0.01962811 0.04890229] [-0.06361004 0.01962811 -0.04890229] [-0.06361004 -0.01962811 0.04890229] [ 0.01458932 -0.03271558 0.03104814] [-0.01458932 -0.03271558 -0.03104814] [ 0.01458932 0.03271558 -0.03104814] [-0.01458932 0.03271558 0.03104814] [ 0.00554849 -0.02929298 0.01700163] [-0.00554849 0.02929298 0.01700163] [-0.00554849 -0.02929298 -0.01700163] [ 0.00554849 0.02929298 -0.01700163] [ 0.10202188 -0.09889949 -0.01558684] [-0.10202188 0.09889949 -0.01558684] [-0.10202188 -0.09889949 0.01558684] [ 0.10202188 0.09889949 0.01558684]] Final stress: [ 1.88638731e-03 1.33517779e-03 5.58224020e-03 -9.45479251e-14 2.60111487e-13 -5.09995923e-13] Minimization converged after 97 steps. Minimization converged after 98 steps. Minimization converged after 92 steps. Minimization converged after 93 steps. Minimization converged after 99 steps. Minimization converged after 100 steps. Minimization converged after 83 steps. Minimization converged after 83 steps. Minimization converged after 94 steps. Minimization converged after 95 steps. Minimization converged after 82 steps. Minimization converged after 82 steps. Minimization converged after 59 steps. Minimization converged after 48 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-0.00928205 -0.00921864 -0.00377459] [ 0.00928205 0.00921864 -0.00377459] [ 0.00928205 -0.00921864 0.00377459] [-0.00928205 0.00921864 0.00377459] [-0.02471695 -0.00730433 0.02302947] [ 0.02471695 0.00730433 0.02302947] [ 0.02471695 -0.00730433 -0.02302947] [-0.02471695 0.00730433 -0.02302947] [ 0.02213695 0.01033611 0.06025848] [ 0.02213695 -0.01033611 -0.06025848] [-0.02213695 -0.01033611 0.06025848] [-0.02213695 0.01033611 -0.06025848] [ 0.02784627 0.02348376 -0.00371908] [-0.02784627 0.02348376 0.00371908] [ 0.02784627 -0.02348376 0.00371908] [-0.02784627 -0.02348376 -0.00371908] [-0.02297797 0.02692783 0.02139365] [ 0.02297797 -0.02692783 0.02139365] [ 0.02297797 0.02692783 -0.02139365] [-0.02297797 -0.02692783 -0.02139365] [ 0.00326981 0.03092863 0.02894537] [-0.00326981 -0.03092863 0.02894537] [-0.00326981 0.03092863 -0.02894537] [ 0.00326981 -0.03092863 -0.02894537]] Final stress: [ 1.63667224e-03 2.30175600e-03 2.05061396e-03 -9.30427414e-15 -2.54261879e-16 5.55727335e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.02615572 0.01942768 -0.03972223] [-0.02615572 -0.01942768 -0.03972223] [-0.02615572 0.01942768 0.03972223] [ 0.02615572 -0.01942768 0.03972223] [ 0.04002098 -0.02372415 -0.00608466] [-0.04002098 0.02372415 -0.00608466] [-0.04002098 -0.02372415 0.00608466] [ 0.04002098 0.02372415 0.00608466] [-0.00138133 -0.04744114 -0.00321779] [-0.00138133 0.04744114 0.00321779] [ 0.00138133 0.04744114 -0.00321779] [ 0.00138133 -0.04744114 0.00321779] [ 0.01950467 0.0257994 0.01696219] [-0.01950467 0.0257994 -0.01696219] [ 0.01950467 -0.0257994 -0.01696219] [-0.01950467 -0.0257994 0.01696219] [ 0.00572038 0.0087215 -0.00979982] [-0.00572038 -0.0087215 -0.00979982] [-0.00572038 0.0087215 0.00979982] [ 0.00572038 -0.0087215 0.00979982] [-0.08057895 0.03694833 0.04149417] [ 0.08057895 -0.03694833 0.04149417] [ 0.08057895 0.03694833 -0.04149417] [-0.08057895 -0.03694833 -0.04149417]] Final stress: [ 3.25342508e-04 1.31135672e-03 -5.46001067e-04 3.07845096e-15 1.93768895e-15 -1.92223122e-15] Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 38 steps. Final forces: [[ 0.00320655 0.04414384 0.00487035] [-0.00320655 -0.04414384 0.00487035] [-0.00320655 0.04414384 -0.00487035] [ 0.00320655 -0.04414384 -0.00487035] [-0.0196175 -0.04907892 0.06384415] [ 0.0196175 0.04907892 0.06384415] [ 0.0196175 -0.04907892 -0.06384415] [-0.0196175 0.04907892 -0.06384415] [-0.03272043 0.0310565 0.0145834 ] [-0.03272043 -0.0310565 -0.0145834 ] [ 0.03272043 -0.0310565 0.0145834 ] [ 0.03272043 0.0310565 -0.0145834 ] [ 0.00147809 0.03301995 0.0159074 ] [-0.00147809 0.03301995 -0.0159074 ] [ 0.00147809 -0.03301995 -0.0159074 ] [-0.00147809 -0.03301995 0.0159074 ] [-0.0292752 0.01700116 0.00557542] [ 0.02927521 -0.01700116 0.00557542] [ 0.0292752 0.01700116 -0.00557542] [-0.0292752 -0.01700116 -0.00557542] [-0.09909767 -0.01560601 0.10227818] [ 0.09909767 0.01560601 0.10227818] [ 0.09909767 -0.01560601 -0.10227818] [-0.09909767 0.01560601 -0.10227818]] Final stress: [ 1.34041348e-03 5.59219244e-03 1.88780623e-03 -4.65028191e-13 1.16763224e-13 -1.07727317e-14] Minimization converged after 95 steps. Minimization converged after 94 steps. Minimization converged after 82 steps. Minimization converged after 82 steps. Minimization converged after 104 steps. Minimization converged after 98 steps. Minimization converged after 95 steps. Minimization converged after 93 steps. Minimization converged after 100 steps. Minimization converged after 98 steps. Minimization converged after 84 steps. Minimization converged after 83 steps. Minimization converged after 59 steps. Minimization converged after 48 steps. Minimization converged after 101 steps. Minimization converged after 99 steps. Minimization converged after 84 steps. Minimization converged after 83 steps. Minimization converged after 95 steps. Minimization converged after 94 steps. Minimization converged after 82 steps. Minimization converged after 82 steps. Minimization converged after 97 steps. Minimization converged after 97 steps. Minimization converged after 92 steps. Minimization converged after 90 steps. Minimization converged after 95 steps. Minimization converged after 95 steps. Minimization converged after 143 steps. Minimization converged after 144 steps. Minimization converged after 142 steps. Minimization converged after 142 steps. Minimization converged after 142 steps. Minimization converged after 142 steps. Minimization converged after 142 steps. Minimization converged after 143 steps. Minimization converged after 98 steps. Minimization converged after 95 steps. Minimization converged after 142 steps. Minimization converged after 142 steps. Minimization converged after 143 steps. Minimization converged after 142 steps. Minimization converged after 97 steps. Minimization converged after 95 steps. Minimization converged after 57 steps. Minimization converged after 47 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-3.35635837e-06 2.76565423e-03 -5.29028339e-04] [ 3.35636024e-06 -2.76565423e-03 -5.29028341e-04] [ 3.35635831e-06 2.76565423e-03 5.29028339e-04] [-3.35635824e-06 -2.76565423e-03 5.29028339e-04] [ 8.30329838e-03 3.32710064e-02 8.01186441e-03] [-8.30329838e-03 -3.32710065e-02 8.01186442e-03] [-8.30329838e-03 3.32710065e-02 -8.01186442e-03] [ 8.30329838e-03 -3.32710065e-02 -8.01186442e-03] [ 1.47404751e-02 4.34551304e-03 1.92796670e-02] [ 1.47404751e-02 -4.34551305e-03 -1.92796670e-02] [-1.47404751e-02 -4.34551305e-03 1.92796670e-02] [-1.47404751e-02 4.34551305e-03 -1.92796670e-02] [-1.86844732e-03 1.55816218e-02 -8.92865091e-03] [ 1.86844733e-03 1.55816218e-02 8.92865091e-03] [-1.86844732e-03 -1.55816218e-02 8.92865091e-03] [ 1.86844733e-03 -1.55816218e-02 -8.92865091e-03] [ 1.59623534e-02 1.04775356e-02 -1.39598914e-02] [-1.59623534e-02 -1.04775356e-02 -1.39598914e-02] [-1.59623534e-02 1.04775356e-02 1.39598914e-02] [ 1.59623534e-02 -1.04775356e-02 1.39598914e-02] [ 7.69061676e-03 1.47658588e-02 8.82690828e-04] [-7.69061677e-03 -1.47658588e-02 8.82690824e-04] [-7.69061676e-03 1.47658588e-02 -8.82690825e-04] [ 7.69061676e-03 -1.47658588e-02 -8.82690826e-04]] Final stress: [ 1.45309129e-03 1.30371429e-03 8.02787160e-04 1.03947878e-14 -5.47061521e-15 1.25610333e-15] Minimization converged after 55 steps. Minimization converged after 53 steps. Minimization converged after 59 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 2.76566302e-03 -5.29033442e-04 -3.35599884e-06] [-2.76566302e-03 5.29033446e-04 -3.35600254e-06] [-2.76566303e-03 -5.29033441e-04 3.35599756e-06] [ 2.76566302e-03 5.29033443e-04 3.35599934e-06] [ 4.34553788e-03 1.92796575e-02 1.47405197e-02] [-4.34553788e-03 -1.92796574e-02 1.47405197e-02] [-4.34553788e-03 1.92796574e-02 -1.47405197e-02] [ 4.34553788e-03 -1.92796574e-02 -1.47405197e-02] [ 1.55816759e-02 -8.92863498e-03 -1.86847520e-03] [ 1.55816759e-02 8.92863498e-03 1.86847520e-03] [-1.55816759e-02 8.92863498e-03 -1.86847520e-03] [-1.55816759e-02 -8.92863498e-03 1.86847521e-03] [ 3.32710289e-02 8.01187678e-03 8.30332622e-03] [-3.32710289e-02 8.01187678e-03 -8.30332622e-03] [ 3.32710289e-02 -8.01187679e-03 -8.30332622e-03] [-3.32710289e-02 -8.01187678e-03 8.30332622e-03] [ 1.04775660e-02 -1.39598468e-02 1.59624159e-02] [-1.04775660e-02 1.39598468e-02 1.59624159e-02] [-1.04775660e-02 -1.39598468e-02 -1.59624159e-02] [ 1.04775660e-02 1.39598468e-02 -1.59624159e-02] [ 1.47658581e-02 8.82659444e-04 7.69057352e-03] [-1.47658581e-02 -8.82659444e-04 7.69057353e-03] [-1.47658581e-02 8.82659445e-04 -7.69057352e-03] [ 1.47658581e-02 -8.82659446e-04 -7.69057353e-03]] Final stress: [ 1.30371520e-03 8.02788076e-04 1.45309237e-03 1.55927414e-15 1.18368201e-15 -6.21653970e-15] Minimization converged after 53 steps. Minimization converged after 55 steps. Minimization converged after 59 steps. Minimization converged after 98 steps. Minimization converged after 99 steps. Minimization converged after 98 steps. Minimization converged after 98 steps. Minimization converged after 98 steps. Minimization converged after 100 steps. Minimization converged after 85 steps. Minimization converged after 84 steps. Minimization converged after 98 steps. Minimization converged after 98 steps. Minimization converged after 80 steps. Minimization converged after 81 steps. Minimization converged after 57 steps. Minimization converged after 47 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-5.29035532e-04 -3.35638336e-06 2.76565644e-03] [ 5.29035541e-04 3.35639148e-06 2.76565643e-03] [ 5.29035538e-04 -3.35638932e-06 -2.76565643e-03] [-5.29035537e-04 3.35638683e-06 -2.76565644e-03] [-8.92862691e-03 -1.86847498e-03 1.55816461e-02] [ 8.92862692e-03 1.86847498e-03 1.55816461e-02] [ 8.92862691e-03 -1.86847497e-03 -1.55816461e-02] [-8.92862691e-03 1.86847497e-03 -1.55816461e-02] [ 8.01186849e-03 8.30331095e-03 3.32709783e-02] [ 8.01186849e-03 -8.30331095e-03 -3.32709783e-02] [-8.01186850e-03 -8.30331097e-03 3.32709783e-02] [-8.01186850e-03 8.30331096e-03 -3.32709783e-02] [ 1.92796265e-02 1.47404911e-02 4.34552146e-03] [-1.92796265e-02 1.47404911e-02 -4.34552146e-03] [ 1.92796266e-02 -1.47404911e-02 -4.34552147e-03] [-1.92796265e-02 -1.47404911e-02 4.34552147e-03] [-1.39598252e-02 1.59623866e-02 1.04775490e-02] [ 1.39598252e-02 -1.59623866e-02 1.04775490e-02] [ 1.39598252e-02 1.59623866e-02 -1.04775491e-02] [-1.39598252e-02 -1.59623866e-02 -1.04775490e-02] [ 8.82657496e-04 7.69056492e-03 1.47658319e-02] [-8.82657495e-04 -7.69056493e-03 1.47658320e-02] [-8.82657511e-04 7.69056492e-03 -1.47658319e-02] [ 8.82657500e-04 -7.69056491e-03 -1.47658320e-02]] Final stress: [8.02787820e-04 1.45309231e-03 1.30371539e-03 3.58901714e-14 2.40644931e-14 1.52211285e-14] Minimization converged after 55 steps. Minimization converged after 53 steps. Minimization converged after 59 steps. Minimization converged after 99 steps. Minimization converged after 98 steps. Minimization converged after 82 steps. Minimization converged after 82 steps. Minimization converged after 100 steps. Minimization converged after 100 steps. Minimization converged after 98 steps. Minimization converged after 98 steps. Minimization converged after 97 steps. Minimization converged after 99 steps. Minimization converged after 85 steps. Minimization converged after 84 steps. Minimization converged after 57 steps. Minimization converged after 47 steps. Minimization converged after 102 steps. Minimization converged after 101 steps. Minimization converged after 83 steps. Minimization converged after 85 steps. Minimization converged after 99 steps. Minimization converged after 99 steps. Minimization converged after 85 steps. Minimization converged after 81 steps. Minimization converged after 101 steps. Minimization converged after 98 steps. Minimization converged after 100 steps. Minimization converged after 98 steps. Minimization converged after 99 steps. Minimization converged after 100 steps. Minimization converged after 141 steps. Minimization converged after 141 steps. Minimization converged after 140 steps. Minimization converged after 145 steps. Minimization converged after 141 steps. Minimization converged after 140 steps. Minimization converged after 141 steps. Minimization converged after 141 steps. Minimization converged after 100 steps. Minimization converged after 100 steps. Minimization converged after 141 steps. Minimization converged after 142 steps. Minimization converged after 141 steps. Minimization converged after 143 steps. Minimization converged after 103 steps. Minimization converged after 99 steps. Minimization converged after 67 steps. Minimization converged after 47 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 0.00240069 0.0185317 0.00637784] [-0.00240069 -0.0185317 0.00637784] [-0.00240069 0.0185317 -0.00637784] [ 0.00240069 -0.0185317 -0.00637784] [ 0.02382887 0.11258465 0.01122405] [-0.02382887 -0.11258465 0.01122405] [-0.02382887 0.11258465 -0.01122405] [ 0.02382887 -0.11258465 -0.01122405] [ 0.04681457 0.0208621 0.05380004] [ 0.04681457 -0.0208621 -0.05380004] [-0.04681457 -0.0208621 0.05380004] [-0.04681457 0.0208621 -0.05380004] [-0.01405982 0.0679449 -0.03296088] [ 0.01405982 0.0679449 0.03296088] [-0.01405982 -0.0679449 0.03296088] [ 0.01405982 -0.0679449 -0.03296088] [ 0.04094893 0.03644092 -0.0644736 ] [-0.04094893 -0.03644092 -0.0644736 ] [-0.04094893 0.03644092 0.0644736 ] [ 0.04094893 -0.03644092 0.0644736 ] [ 0.01960394 0.05994525 -0.00679842] [-0.01960394 -0.05994525 -0.00679842] [-0.01960394 0.05994525 0.00679842] [ 0.01960394 -0.05994525 0.00679842]] Final stress: [ 1.12928750e-03 6.23718613e-04 1.36007810e-03 -4.31473504e-14 1.74122041e-14 7.66940861e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.0118699 -0.02011902 0.01325266] [-0.0118699 0.02011902 0.01325266] [-0.0118699 -0.02011902 -0.01325266] [ 0.0118699 0.02011902 -0.01325266] [-0.01388531 0.00729059 0.00991359] [ 0.01388531 -0.00729059 0.00991359] [ 0.01388531 0.00729059 -0.00991359] [-0.01388531 -0.00729059 -0.00991359] [ 0.00612081 0.00783975 0.01515422] [ 0.00612081 -0.00783975 -0.01515422] [-0.00612081 -0.00783975 0.01515422] [-0.00612081 0.00783975 -0.01515422] [-0.01077014 -0.00023739 0.01456983] [ 0.01077014 -0.00023739 -0.01456983] [-0.01077014 0.00023739 -0.01456983] [ 0.01077014 0.00023739 0.01456983] [ 0.01428992 -0.01879905 0.00770675] [-0.01428992 0.01879905 0.00770675] [-0.01428992 -0.01879905 -0.00770675] [ 0.01428992 0.01879905 -0.00770675] [ 0.01722591 0.02232386 -0.03098584] [-0.01722591 -0.02232386 -0.03098584] [-0.01722591 0.02232386 0.03098584] [ 0.01722591 -0.02232386 0.03098584]] Final stress: [ 2.71607871e-04 -1.71029900e-04 1.45335162e-04 2.06966594e-15 -2.42610622e-15 -1.48109914e-15] Minimization converged after 54 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00037589 -0.00024054 0.0008981 ] [ 0.00037589 0.00024054 0.0008981 ] [ 0.00037589 -0.00024054 -0.0008981 ] [-0.00037589 0.00024054 -0.0008981 ] [ 0.00170602 -0.00199022 0.00149369] [-0.00170602 0.00199022 0.00149369] [-0.00170602 -0.00199022 -0.00149369] [ 0.00170602 0.00199022 -0.00149369] [ 0.00374197 0.00381736 0.00155369] [ 0.00374197 -0.00381736 -0.00155369] [-0.00374197 -0.00381736 0.00155369] [-0.00374197 0.00381736 -0.00155369] [ 0.00205047 -0.0024493 0.00304582] [-0.00205047 -0.0024493 -0.00304582] [ 0.00205047 0.0024493 -0.00304582] [-0.00205047 0.0024493 0.00304582] [ 0.00299492 -0.00459875 0.00285031] [-0.00299492 0.00459875 0.00285031] [-0.00299492 -0.00459875 -0.00285031] [ 0.00299492 0.00459875 -0.00285031] [-0.00026391 -0.00035329 0.00453787] [ 0.00026391 0.00035329 0.00453787] [ 0.00026391 -0.00035329 -0.00453787] [-0.00026391 0.00035329 -0.00453787]] Final stress: [-8.81902774e-04 -9.08642289e-04 -4.25193275e-04 5.82882332e-15 -1.56763656e-15 2.74059043e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 0.01853151 0.00637753 0.00240041] [-0.01853151 -0.00637753 0.00240041] [-0.01853151 0.00637753 -0.00240041] [ 0.01853151 -0.00637753 -0.00240041] [ 0.02086214 0.05379968 0.04681491] [-0.02086214 -0.05379967 0.04681491] [-0.02086214 0.05379967 -0.04681491] [ 0.02086214 -0.05379967 -0.04681491] [ 0.06794544 -0.03296091 -0.01406019] [ 0.06794544 0.03296091 0.01406019] [-0.06794544 0.03296091 -0.01406019] [-0.06794544 -0.03296091 0.01406019] [ 0.11258463 0.01122414 0.02382891] [-0.11258463 0.01122414 -0.02382891] [ 0.11258463 -0.01122414 -0.02382891] [-0.11258463 -0.01122414 0.02382891] [ 0.03644131 -0.06447323 0.04094937] [-0.03644131 0.06447323 0.04094937] [-0.03644131 -0.06447323 -0.04094937] [ 0.03644131 0.06447323 -0.04094937] [ 0.05994546 -0.00679859 0.01960393] [-0.05994546 0.00679859 0.01960393] [-0.05994546 -0.00679859 -0.01960393] [ 0.05994546 0.00679859 -0.01960393]] Final stress: [ 6.23732058e-04 1.36009279e-03 1.12930114e-03 -8.37076496e-14 -3.70413057e-16 -4.44091209e-14] Minimization converged after 55 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.02011908 0.01325269 0.0118699 ] [ 0.02011908 -0.01325269 0.0118699 ] [ 0.02011908 0.01325269 -0.0118699 ] [-0.02011908 -0.01325269 -0.0118699 ] [ 0.00783978 0.0151543 0.0061208 ] [-0.00783978 -0.0151543 0.0061208 ] [-0.00783978 0.0151543 -0.0061208 ] [ 0.00783978 -0.0151543 -0.0061208 ] [-0.00023742 0.01456985 -0.01077023] [-0.00023742 -0.01456985 0.01077023] [ 0.00023742 -0.01456985 -0.01077023] [ 0.00023742 0.01456985 0.01077023] [ 0.00729049 0.00991356 -0.01388542] [-0.00729049 0.00991356 0.01388542] [ 0.00729049 -0.00991356 0.01388542] [-0.00729049 -0.00991356 -0.01388542] [-0.01879906 0.00770671 0.01428994] [ 0.01879906 -0.00770671 0.01428994] [ 0.01879906 0.00770671 -0.01428994] [-0.01879906 -0.00770671 -0.01428994] [ 0.02232384 -0.03098591 0.01722594] [-0.02232384 0.03098591 0.01722594] [-0.02232384 -0.03098591 -0.01722594] [ 0.02232384 0.03098591 -0.01722594]] Final stress: [-1.71028974e-04 1.45334960e-04 2.71607778e-04 4.15013027e-17 2.91588329e-15 3.64282595e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00024058 0.0008981 -0.00037592] [ 0.00024058 -0.0008981 -0.00037592] [ 0.00024058 0.0008981 0.00037592] [-0.00024058 -0.0008981 0.00037592] [ 0.00381733 0.00155371 0.00374193] [-0.00381733 -0.00155371 0.00374193] [-0.00381733 0.00155371 -0.00374193] [ 0.00381733 -0.00155371 -0.00374193] [-0.00244937 0.0030458 0.00205051] [-0.00244937 -0.0030458 -0.00205051] [ 0.00244937 -0.0030458 0.00205051] [ 0.00244937 0.0030458 -0.00205051] [-0.00199018 0.00149376 0.00170606] [ 0.00199018 0.00149376 -0.00170606] [-0.00199018 -0.00149376 -0.00170606] [ 0.00199018 -0.00149376 0.00170606] [-0.00459871 0.00285029 0.00299494] [ 0.00459871 -0.00285029 0.00299494] [ 0.00459871 0.00285029 -0.00299494] [-0.00459871 -0.00285029 -0.00299494] [-0.00035333 0.00453781 -0.00026392] [ 0.00035333 -0.00453781 -0.00026392] [ 0.00035333 0.00453781 0.00026392] [-0.00035333 -0.00453781 0.00026392]] Final stress: [-9.08643490e-04 -4.25192678e-04 -8.81903933e-04 -3.24586075e-15 1.28658582e-15 3.83958851e-15] Minimization converged after 102 steps. Minimization converged after 102 steps. Minimization converged after 93 steps. Minimization converged after 95 steps. Minimization converged after 99 steps. Minimization converged after 99 steps. Minimization converged after 84 steps. Minimization converged after 83 steps. Minimization converged after 99 steps. Minimization converged after 98 steps. Minimization converged after 84 steps. Minimization converged after 84 steps. Minimization converged after 67 steps. Minimization converged after 47 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 0.00637688 0.00240006 0.01853087] [-0.00637688 -0.00240006 0.01853087] [-0.00637688 0.00240006 -0.01853087] [ 0.00637688 -0.00240006 -0.01853087] [-0.03296053 -0.01406118 0.06794549] [ 0.03296053 0.01406118 0.06794549] [ 0.03296053 -0.01406118 -0.06794549] [-0.03296053 0.01406118 -0.06794549] [ 0.01122434 0.02382822 0.11258187] [ 0.01122434 -0.02382822 -0.11258187] [-0.01122434 -0.02382822 0.11258187] [-0.01122434 0.02382822 -0.11258187] [ 0.05379711 0.04681481 0.02086118] [-0.05379711 0.04681481 -0.02086118] [ 0.05379711 -0.04681481 -0.02086118] [-0.05379711 -0.04681481 0.02086118] [-0.06447011 0.04094973 0.03644087] [ 0.06447011 -0.04094973 0.03644087] [ 0.06447011 0.04094973 -0.03644087] [-0.06447011 -0.04094973 -0.03644087] [-0.00679854 0.01960291 0.05994494] [ 0.00679854 -0.01960291 0.05994494] [ 0.00679854 0.01960291 -0.05994494] [-0.00679854 -0.01960291 -0.05994494]] Final stress: [ 1.36010067e-03 1.12933543e-03 6.23777974e-04 -1.01168731e-13 3.45527686e-15 -1.46169075e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.01325266 0.0118699 -0.02011901] [-0.01325266 -0.0118699 -0.02011901] [-0.01325266 0.0118699 0.02011901] [ 0.01325266 -0.0118699 0.02011901] [ 0.01456982 -0.01077012 -0.00023738] [-0.01456982 0.01077012 -0.00023738] [-0.01456982 -0.01077012 0.00023738] [ 0.01456982 0.01077012 0.00023738] [ 0.0099136 -0.01388529 0.00729062] [ 0.0099136 0.01388529 -0.00729062] [-0.0099136 0.01388529 0.00729062] [-0.0099136 -0.01388529 -0.00729062] [ 0.0151542 0.00612081 0.00783974] [-0.0151542 0.00612081 -0.00783974] [ 0.0151542 -0.00612081 -0.00783974] [-0.0151542 -0.00612081 0.00783974] [ 0.00770676 0.01428992 -0.01879905] [-0.00770676 -0.01428992 -0.01879905] [-0.00770676 0.01428992 0.01879905] [ 0.00770676 -0.01428992 0.01879905] [-0.03098582 0.0172259 0.02232386] [ 0.03098582 -0.0172259 0.02232386] [ 0.03098582 0.0172259 -0.02232386] [-0.03098582 -0.0172259 -0.02232386]] Final stress: [ 1.45335217e-04 2.71607830e-04 -1.71030054e-04 5.64095376e-19 8.78661652e-16 -3.13929150e-16] Minimization converged after 55 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00089812 -0.00037589 -0.00024056] [-0.00089812 0.00037589 -0.00024056] [-0.00089812 -0.00037589 0.00024056] [ 0.00089812 0.00037589 0.00024056] [ 0.00304578 0.00205049 -0.00244934] [-0.00304578 -0.00205049 -0.00244934] [-0.00304578 0.00205049 0.00244934] [ 0.00304578 -0.00205049 0.00244934] [ 0.00149374 0.00170603 -0.00199019] [ 0.00149374 -0.00170603 0.00199019] [-0.00149374 -0.00170603 -0.00199019] [-0.00149374 0.00170603 0.00199019] [ 0.0015537 0.00374195 0.00381731] [-0.0015537 0.00374195 -0.00381731] [ 0.0015537 -0.00374195 -0.00381731] [-0.0015537 -0.00374195 0.00381731] [ 0.00285029 0.00299492 -0.00459872] [-0.00285029 -0.00299492 -0.00459872] [-0.00285029 0.00299492 0.00459872] [ 0.00285029 -0.00299492 0.00459872] [ 0.00453782 -0.00026391 -0.00035332] [-0.00453782 0.00026391 -0.00035332] [-0.00453782 -0.00026391 0.00035332] [ 0.00453782 0.00026391 0.00035332]] Final stress: [-4.25192555e-04 -8.81903337e-04 -9.08642821e-04 2.81282288e-16 -1.05574490e-16 -1.29354626e-15] Minimization converged after 99 steps. Minimization converged after 98 steps. Minimization converged after 84 steps. Minimization converged after 84 steps. Minimization converged after 102 steps. Minimization converged after 101 steps. Minimization converged after 94 steps. Minimization converged after 93 steps. Minimization converged after 103 steps. Minimization converged after 99 steps. Minimization converged after 84 steps. Minimization converged after 84 steps. Minimization converged after 67 steps. Minimization converged after 47 steps. Minimization converged after 99 steps. Minimization converged after 99 steps. Minimization converged after 85 steps. Minimization converged after 85 steps. Minimization converged after 99 steps. Minimization converged after 97 steps. Minimization converged after 84 steps. Minimization converged after 84 steps. Minimization converged after 101 steps. Minimization converged after 102 steps. Minimization converged after 92 steps. Minimization converged after 94 steps. Minimization converged after 100 steps. Minimization converged after 100 steps. Minimization converged after 145 steps. Minimization converged after 143 steps. Minimization converged after 145 steps. Minimization converged after 143 steps. Minimization converged after 144 steps. Minimization converged after 145 steps. Minimization converged after 144 steps. Minimization converged after 144 steps. Minimization converged after 100 steps. Minimization converged after 100 steps. Minimization converged after 144 steps. Minimization converged after 143 steps. Minimization converged after 144 steps. Minimization converged after 144 steps. Minimization converged after 100 steps. Minimization converged after 100 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00792623 -0.003808 -0.00180543] [ 0.00792623 0.003808 -0.00180543] [ 0.00792623 -0.003808 0.00180543] [-0.00792623 0.003808 0.00180543] [-0.0127509 0.01516786 -0.01054246] [ 0.0127509 -0.01516786 -0.01054246] [ 0.0127509 0.01516786 0.01054246] [-0.0127509 -0.01516786 0.01054246] [ 0.0175795 -0.01817101 0.00469408] [ 0.0175795 0.01817101 -0.00469408] [-0.0175795 0.01817101 0.00469408] [-0.0175795 -0.01817101 -0.00469408] [ 0.02657335 0.02179539 0.0058603 ] [-0.02657335 0.02179539 -0.0058603 ] [ 0.02657335 -0.02179539 -0.0058603 ] [-0.02657335 -0.02179539 0.0058603 ] [ 0.01382476 0.02013135 -0.01669171] [-0.01382476 -0.02013135 -0.01669171] [-0.01382476 0.02013135 0.01669171] [ 0.01382476 -0.02013135 0.01669171] [ 0.03722902 -0.00423363 -0.0019378 ] [-0.03722902 0.00423363 -0.0019378 ] [-0.03722902 -0.00423363 0.0019378 ] [ 0.03722902 0.00423363 0.0019378 ]] Final stress: [ 5.92419043e-04 3.74728952e-04 1.28442944e-04 6.02208052e-15 -1.23241752e-14 -5.78685681e-15] Minimization converged after 51 steps. Minimization converged after 49 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.04840598 -0.04509208 0.05622242] [-0.04840598 0.04509208 0.05622242] [-0.04840598 -0.04509208 -0.05622242] [ 0.04840598 0.04509208 -0.05622242] [-0.01337626 0.07620184 0.08838057] [ 0.01337626 -0.07620184 0.08838057] [ 0.01337626 0.07620184 -0.08838057] [-0.01337626 -0.07620184 -0.08838057] [ 0.05551485 0.0241184 0.03685904] [ 0.05551485 -0.0241184 -0.03685904] [-0.05551485 -0.0241184 0.03685904] [-0.05551485 0.0241184 -0.03685904] [-0.00958731 0.0253469 0.06768147] [ 0.00958731 0.0253469 -0.06768147] [-0.00958731 -0.0253469 -0.06768147] [ 0.00958731 -0.0253469 0.06768147] [ 0.05134479 -0.10394773 0.05630522] [-0.05134479 0.10394773 0.05630522] [-0.05134479 -0.10394773 -0.05630522] [ 0.05134479 0.10394773 -0.05630522] [ 0.08887748 0.12731074 -0.11873467] [-0.08887748 -0.12731074 -0.11873467] [-0.08887748 0.12731074 0.11873467] [ 0.08887748 -0.12731074 0.11873467]] Final stress: [ 8.04313757e-05 2.16454707e-03 1.80151253e-03 4.22500261e-14 -3.93298837e-15 -6.66813715e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.00611069 0.01480091 -0.00444423] [ 0.00611069 -0.01480091 -0.00444423] [ 0.00611069 0.01480091 0.00444423] [-0.00611069 -0.01480091 0.00444423] [ 0.01674263 0.01208377 0.00689542] [-0.01674263 -0.01208377 0.00689542] [-0.01674263 0.01208377 -0.00689542] [ 0.01674263 -0.01208377 -0.00689542] [-0.0022627 -0.00943224 -0.014188 ] [-0.0022627 0.00943224 0.014188 ] [ 0.0022627 0.00943224 -0.014188 ] [ 0.0022627 -0.00943224 0.014188 ] [ 0.01915888 0.01092445 0.00198346] [-0.01915888 0.01092445 -0.00198346] [ 0.01915888 -0.01092445 -0.00198346] [-0.01915888 -0.01092445 0.00198346] [-0.00609799 0.00263279 0.00774872] [ 0.00609799 -0.00263279 0.00774872] [ 0.00609799 0.00263279 -0.00774872] [-0.00609799 -0.00263279 -0.00774872] [-0.00216739 0.00300508 0.00846143] [ 0.00216739 -0.00300508 0.00846143] [ 0.00216739 0.00300508 -0.00846143] [-0.00216739 -0.00300508 -0.00846143]] Final stress: [-2.67204710e-04 2.36036024e-04 9.91754400e-05 1.06559647e-14 7.43704546e-15 -4.41366262e-15] Minimization converged after 65 steps. Minimization converged after 49 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.0152397 -0.00451079 -0.00625854] [-0.0152397 0.00451079 -0.00625854] [-0.0152397 -0.00451079 0.00625854] [ 0.0152397 0.00451079 0.00625854] [-0.00986718 -0.01477653 -0.00248303] [ 0.00986718 0.01477653 -0.00248303] [ 0.00986718 -0.01477653 0.00248303] [-0.00986718 0.01477653 0.00248303] [ 0.0115231 0.00235054 0.02006557] [ 0.0115231 -0.00235054 -0.02006557] [-0.0115231 -0.00235054 0.02006557] [-0.0115231 0.00235054 -0.02006557] [ 0.01261963 0.00730289 0.01726992] [-0.01261963 0.00730289 -0.01726992] [ 0.01261963 -0.00730289 -0.01726992] [-0.01261963 -0.00730289 0.01726992] [ 0.00261034 0.00829161 -0.00641379] [-0.00261034 -0.00829161 -0.00641379] [-0.00261034 0.00829161 0.00641379] [ 0.00261034 -0.00829161 0.00641379] [ 0.00333797 0.00844065 -0.00200187] [-0.00333797 -0.00844065 -0.00200187] [-0.00333797 0.00844065 0.00200187] [ 0.00333797 -0.00844065 0.00200187]] Final stress: [ 2.36166090e-04 1.04216367e-04 -2.69089997e-04 6.35813765e-16 3.06202953e-15 5.07281448e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.04509207 0.05622241 0.04840596] [ 0.04509207 -0.05622241 0.04840596] [ 0.04509207 0.05622241 -0.04840596] [-0.04509207 -0.05622241 -0.04840596] [ 0.02411839 0.03685906 0.0555148 ] [-0.02411839 -0.03685906 0.0555148 ] [-0.02411839 0.03685906 -0.0555148 ] [ 0.02411839 -0.03685906 -0.0555148 ] [ 0.0253469 0.06768142 -0.00958734] [ 0.0253469 -0.06768142 0.00958734] [-0.0253469 -0.06768142 -0.00958734] [-0.0253469 0.06768142 0.00958734] [ 0.07620182 0.08838055 -0.01337624] [-0.07620182 0.08838055 0.01337624] [ 0.07620182 -0.08838055 0.01337624] [-0.07620182 -0.08838055 -0.01337624] [-0.10394772 0.05630518 0.05134483] [ 0.10394772 -0.05630518 0.05134483] [ 0.10394772 0.05630518 -0.05134483] [-0.10394772 -0.05630518 -0.05134483] [ 0.12731069 -0.11873459 0.08887742] [-0.12731069 0.11873459 0.08887742] [-0.12731069 -0.11873459 -0.08887742] [ 0.12731069 0.11873459 -0.08887742]] Final stress: [2.16454605e-03 1.80151166e-03 8.04309648e-05 6.73022972e-14 3.09854866e-14 2.65423941e-14] Minimization converged after 65 steps. Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 65 steps. Final forces: [[ 0.00945641 0.00438415 0.00511344] [ 0.00016882 0.00785192 -0.00017036] [ 0.00016882 -0.00785192 0.00017036] [ 0.00945641 -0.00438415 -0.00511344] [-0.00271186 0.00588891 -0.00077346] [ 0.00493506 0.00913981 -0.00821617] [ 0.00493506 -0.00913981 0.00821617] [-0.00271185 -0.00588891 0.00077346] [-0.00407724 -0.00026481 0.00236621] [-0.00407724 0.00026481 -0.00236621] [ 0.00175557 -0.00526897 -0.0065959 ] [ 0.00175557 0.00526897 0.0065959 ] [ 0.0001148 -0.00255072 -0.00448971] [-0.01825058 0.00130519 -0.00134765] [ 0.0001148 0.00255072 0.00448971] [-0.01825058 -0.00130519 0.00134765] [-0.00333984 0.00191503 -0.01440544] [ 0.01164304 0.00160791 -0.01265199] [ 0.01164304 -0.00160791 0.01265199] [-0.00333984 -0.00191503 0.01440544] [ 0.00260072 0.00912766 -0.00826307] [-0.00229492 0.00202175 0.00256424] [-0.00229492 -0.00202175 -0.00256424] [ 0.00260072 -0.00912766 0.00826307]] Final stress: [ 1.61672402e-03 4.95451073e-03 4.55705646e-03 -5.82650431e-04 2.72612919e-12 2.19312372e-12] Minimization converged after 98 steps. Minimization converged after 99 steps. Minimization converged after 111 steps. Minimization converged after 111 steps. Minimization converged after 84 steps. Minimization converged after 82 steps. Minimization converged after 99 steps. Minimization converged after 102 steps. Minimization converged after 82 steps. Minimization converged after 86 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00180482 -0.00792482 -0.00380745] [ 0.00180482 0.00792482 -0.00380745] [ 0.00180482 -0.00792482 0.00380745] [-0.00180482 0.00792482 0.00380745] [ 0.0058591 0.02656755 0.0217903 ] [-0.0058591 -0.02656755 0.0217903 ] [-0.0058591 0.02656755 -0.0217903 ] [ 0.0058591 -0.02656755 -0.0217903 ] [-0.01053995 -0.01274881 0.01516522] [-0.01053995 0.01274881 -0.01516522] [ 0.01053995 0.01274881 0.01516522] [ 0.01053995 -0.01274881 -0.01516522] [ 0.00469318 0.0175753 -0.01816867] [-0.00469318 0.0175753 0.01816867] [ 0.00469318 -0.0175753 0.01816867] [-0.00469318 -0.0175753 -0.01816867] [-0.01668819 0.01382251 0.02012732] [ 0.01668819 -0.01382251 0.02012732] [ 0.01668819 0.01382251 -0.02012732] [-0.01668819 -0.01382251 -0.02012732] [-0.00193741 0.03722091 -0.00423322] [ 0.00193741 -0.03722091 -0.00423322] [ 0.00193741 0.03722091 0.00423322] [-0.00193741 -0.03722091 0.00423322]] Final stress: [ 1.28453945e-04 5.92460951e-04 3.74682796e-04 5.42969798e-15 9.71179161e-15 -4.04690506e-15] Minimization converged after 51 steps. Minimization converged after 49 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.05622241 0.04840596 -0.04509207] [-0.05622241 -0.04840596 -0.04509207] [-0.05622241 0.04840596 0.04509207] [ 0.05622241 -0.04840596 0.04509207] [ 0.06768142 -0.00958735 0.0253469 ] [-0.06768142 0.00958735 0.0253469 ] [-0.06768142 -0.00958735 -0.0253469 ] [ 0.06768142 0.00958735 -0.0253469 ] [ 0.08838055 -0.01337624 0.07620182] [ 0.08838055 0.01337624 -0.07620182] [-0.08838055 0.01337624 0.07620182] [-0.08838055 -0.01337624 -0.07620182] [ 0.03685906 0.0555148 0.02411839] [-0.03685906 0.0555148 -0.02411839] [ 0.03685906 -0.0555148 -0.02411839] [-0.03685906 -0.0555148 0.02411839] [ 0.05630517 0.05134483 -0.10394772] [-0.05630517 -0.05134483 -0.10394772] [-0.05630517 0.05134483 0.10394772] [ 0.05630517 -0.05134483 0.10394772] [-0.11873458 0.08887741 0.12731068] [ 0.11873458 -0.08887741 0.12731068] [ 0.11873458 0.08887741 -0.12731068] [-0.11873458 -0.08887741 -0.12731068]] Final stress: [ 1.80151157e-03 8.04309210e-05 2.16454594e-03 -7.98874611e-14 5.25942764e-14 -3.87115518e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.00445719 -0.00613798 0.01488519] [ 0.00445719 0.00613798 0.01488519] [ 0.00445719 -0.00613798 -0.01488519] [-0.00445719 0.00613798 -0.01488519] [ 0.00205735 0.0193394 0.01104541] [-0.00205735 -0.0193394 0.01104541] [-0.00205735 0.0193394 -0.01104541] [ 0.00205735 -0.0193394 -0.01104541] [ 0.00697703 0.01684488 0.01218783] [ 0.00697703 -0.01684488 -0.01218783] [-0.00697703 -0.01684488 0.01218783] [-0.00697703 0.01684488 -0.01218783] [-0.0143042 -0.00231084 -0.00951793] [ 0.0143042 -0.00231084 0.00951793] [-0.0143042 0.00231084 0.00951793] [ 0.0143042 0.00231084 -0.00951793] [ 0.00785923 -0.00616595 0.00263081] [-0.00785923 0.00616595 0.00263081] [-0.00785923 -0.00616595 -0.00263081] [ 0.00785923 0.00616595 -0.00263081] [ 0.00845594 -0.00213506 0.00307205] [-0.00845594 0.00213506 0.00307205] [-0.00845594 -0.00213506 -0.00307205] [ 0.00845594 0.00213506 -0.00307205]] Final stress: [ 1.00160005e-04 -2.67640232e-04 2.36112792e-04 5.07317334e-15 -1.09973809e-14 4.98060537e-15] Minimization converged after 65 steps. Minimization converged after 99 steps. Minimization converged after 100 steps. Minimization converged after 87 steps. Minimization converged after 85 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 63 steps. Final forces: [[-0.00059591 -0.01245488 -0.01892577] [-0.0114157 -0.0156035 0.00773497] [ 0.00059591 -0.01245488 0.01892577] [ 0.0114157 -0.0156035 -0.00773497] [-0.00672663 0.02307124 -0.00882486] [ 0.00901771 0.00026302 -0.00221821] [ 0.00672664 0.02307123 0.00882486] [-0.00901771 0.00026302 0.00221821] [-0.01011902 -0.00557189 -0.01653799] [-0.00900117 0.01049725 -0.00780492] [ 0.00900117 0.01049725 0.00780492] [ 0.01011902 -0.00557189 0.01653799] [-0.01978161 -0.00610726 0.01218109] [ 0.01978161 -0.00610726 -0.01218109] [ 0.00620734 0.01120927 -0.0019914 ] [-0.00620734 0.01120927 0.0019914 ] [-0.04011007 -0.0171098 -0.00664754] [ 0.02555801 0.00876735 0.00571347] [ 0.04011007 -0.0171098 0.00664754] [-0.02555801 0.00876735 -0.00571347] [ 0.0104316 0.00925985 0.00771894] [ 0.01862833 -0.00622064 0.01168351] [-0.0104316 0.00925985 -0.00771894] [-0.01862833 -0.00622064 -0.01168351]] Final stress: [ 4.37336076e-03 1.59098817e-03 5.22243787e-03 -7.63848826e-14 6.01411237e-04 -6.89378863e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 64 steps. Final forces: [[ 0.03742776 0.02528293 0.04745022] [-0.00145772 -0.02093515 -0.03428612] [-0.03742776 0.02528293 -0.04745022] [ 0.00145772 -0.02093515 0.03428612] [-0.02360937 0.00786676 -0.00127913] [ 0.0115866 -0.06034151 -0.01493494] [ 0.02360937 0.00786677 0.00127913] [-0.0115866 -0.06034152 0.01493494] [ 0.00270659 -0.0192944 -0.00875724] [ 0.01831568 0.00356438 0.06678864] [-0.01831569 0.00356438 -0.06678865] [-0.00270658 -0.0192944 0.00875724] [ 0.00570524 -0.01338533 -0.00380725] [-0.00570524 -0.01338533 0.00380725] [-0.01948319 -0.0185254 -0.02975303] [ 0.01948319 -0.0185254 0.02975303] [-0.06069548 0.01352927 0.00672919] [ 0.0756467 0.06125086 0.00065615] [ 0.06069548 0.01352928 -0.00672919] [-0.0756467 0.06125086 -0.00065615] [-0.02247157 0.01928238 0.02990416] [-0.0112166 0.00170521 -0.00549214] [ 0.02247156 0.01928237 -0.02990416] [ 0.01121661 0.00170521 0.00549214]] Final stress: [ 4.82088261e-03 1.92768375e-03 6.36615899e-03 -2.52522023e-12 -6.34350013e-04 1.29794499e-11] Minimization converged after 99 steps. Minimization converged after 96 steps. Minimization converged after 111 steps. Minimization converged after 111 steps. Minimization converged after 81 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00380808 -0.00180549 -0.00792649] [ 0.00380808 0.00180549 -0.00792649] [ 0.00380808 -0.00180549 0.00792649] [-0.00380808 0.00180549 0.00792649] [-0.01817147 0.00469417 0.01757994] [ 0.01817147 -0.00469417 0.01757994] [ 0.01817147 0.00469417 -0.01757994] [-0.01817147 -0.00469417 -0.01757994] [ 0.02179599 0.00586042 0.02657401] [ 0.02179599 -0.00586042 -0.02657401] [-0.02179599 -0.00586042 0.02657401] [-0.02179599 0.00586042 -0.02657401] [ 0.01516822 -0.01054271 -0.01275121] [-0.01516822 -0.01054271 0.01275121] [ 0.01516822 0.01054271 0.01275121] [-0.01516822 0.01054271 -0.01275121] [ 0.02013182 -0.01669215 0.01382506] [-0.02013182 0.01669215 0.01382506] [-0.02013182 -0.01669215 -0.01382506] [ 0.02013182 0.01669215 -0.01382506] [-0.00423367 -0.00193781 0.03722998] [ 0.00423367 0.00193781 0.03722998] [ 0.00423367 -0.00193781 -0.03722998] [-0.00423367 0.00193781 -0.03722998]] Final stress: [ 3.74734594e-04 1.28442374e-04 5.92413582e-04 -1.04932893e-14 -2.02964934e-16 -6.66507563e-15] Minimization converged after 51 steps. Minimization converged after 111 steps. Minimization converged after 109 steps. Minimization converged after 84 steps. Minimization converged after 83 steps. Minimization converged after 96 steps. Minimization converged after 100 steps. Minimization converged after 85 steps. Minimization converged after 83 steps. Minimization converged after 102 steps. Minimization converged after 102 steps. Minimization converged after 98 steps. Minimization converged after 99 steps. Minimization converged after 106 steps. Minimization converged after 106 steps. Minimization converged after 147 steps. Minimization converged after 146 steps. Minimization converged after 147 steps. Minimization converged after 147 steps. Minimization converged after 146 steps. Minimization converged after 148 steps. Minimization converged after 147 steps. Minimization converged after 147 steps. Minimization converged after 101 steps. Minimization converged after 106 steps. Minimization converged after 148 steps. Minimization converged after 144 steps. Minimization converged after 149 steps. Minimization converged after 146 steps. Minimization converged after 107 steps. Minimization converged after 114 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00239351 -0.00137522 -0.00012625] [ 0.00239351 0.00137522 -0.00012625] [ 0.00239351 -0.00137522 0.00012625] [-0.00239351 0.00137522 0.00012625] [-0.00418496 0.00707307 -0.00307411] [ 0.00418496 -0.00707307 -0.00307411] [ 0.00418496 0.00707307 0.00307411] [-0.00418496 -0.00707307 0.00307411] [ 0.00289733 -0.00884057 -0.00014824] [ 0.00289733 0.00884057 0.00014824] [-0.00289733 0.00884057 -0.00014824] [-0.00289733 -0.00884057 0.00014824] [ 0.00533008 0.0041121 0.00023254] [-0.00533008 0.0041121 -0.00023254] [ 0.00533008 -0.0041121 -0.00023254] [-0.00533008 -0.0041121 0.00023254] [ 0.00515246 0.00461056 -0.00542739] [-0.00515246 -0.00461056 -0.00542739] [-0.00515246 0.00461056 0.00542739] [ 0.00515246 -0.00461056 0.00542739] [ 0.008036 -0.00236391 -0.00058389] [-0.008036 0.00236391 -0.00058389] [-0.008036 -0.00236391 0.00058389] [ 0.008036 0.00236391 0.00058389]] Final stress: [ 4.14970351e-04 1.45777313e-04 1.07436303e-04 -4.50096810e-15 -7.80955930e-15 6.24236562e-15] Minimization converged after 51 steps. Minimization converged after 48 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00341201 0.00806396 -0.00280402] [ 0.00341201 -0.00806396 -0.00280402] [ 0.00341201 0.00806396 0.00280402] [-0.00341201 -0.00806396 0.00280402] [ 0.00950003 0.00616692 0.00285221] [-0.00950003 -0.00616692 0.00285221] [-0.00950003 0.00616692 -0.00285221] [ 0.00950003 -0.00616692 -0.00285221] [ 0.00057121 -0.0035279 -0.00574744] [ 0.00057121 0.0035279 0.00574744] [-0.00057121 0.0035279 -0.00574744] [-0.00057121 -0.0035279 0.00574744] [ 0.00715395 0.00340589 -0.00186256] [-0.00715395 0.00340589 0.00186256] [ 0.00715395 -0.00340589 0.00186256] [-0.00715395 -0.00340589 -0.00186256] [-0.00147221 0.00167178 0.00184675] [ 0.00147221 -0.00167178 0.00184675] [ 0.00147221 0.00167178 -0.00184675] [-0.00147221 -0.00167178 -0.00184675] [-0.00358848 0.00021373 0.00736395] [ 0.00358848 -0.00021373 0.00736395] [ 0.00358848 0.00021373 -0.00736395] [-0.00358848 -0.00021373 -0.00736395]] Final stress: [-1.30541397e-04 1.15285246e-04 4.15056949e-05 1.22211855e-14 6.08946697e-15 -1.37758824e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00125612 -0.00455187 -0.0005179 ] [ 0.00125612 0.00455187 -0.0005179 ] [ 0.00125612 -0.00455187 0.0005179 ] [-0.00125612 0.00455187 0.0005179 ] [ 0.00543324 -0.01188332 0.01276304] [-0.00543324 0.01188332 0.01276304] [-0.00543324 -0.01188332 -0.01276304] [ 0.00543324 0.01188332 -0.01276304] [ 0.01020495 0.00385823 0.00387221] [ 0.01020495 -0.00385823 -0.00387221] [-0.01020495 -0.00385823 0.00387221] [-0.01020495 0.00385823 -0.00387221] [ 0.00671564 -0.01730985 0.00911765] [-0.00671564 -0.01730985 -0.00911765] [ 0.00671564 0.01730985 -0.00911765] [-0.00671564 0.01730985 0.00911765] [ 0.00901141 -0.01521175 0.0177273 ] [-0.00901141 0.01521175 0.0177273 ] [-0.00901141 -0.01521175 -0.0177273 ] [ 0.00901141 0.01521175 -0.0177273 ] [ 0.0023834 -0.0081644 0.01724223] [-0.0023834 0.0081644 0.01724223] [-0.0023834 -0.0081644 -0.01724223] [ 0.0023834 0.0081644 -0.01724223]] Final stress: [-2.56292784e-04 -3.30047287e-04 -2.75226096e-04 -9.75085684e-14 -6.32675399e-14 -8.18753121e-14] Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00805428 -0.00280477 -0.0034031 ] [-0.00805428 0.00280477 -0.0034031 ] [-0.00805428 -0.00280477 0.0034031 ] [ 0.00805428 0.00280477 0.0034031 ] [-0.0035083 -0.00572398 0.00057351] [ 0.0035083 0.00572398 0.00057351] [ 0.0035083 -0.00572398 -0.00057351] [-0.0035083 0.00572398 -0.00057351] [ 0.00339243 -0.0018873 0.0071228 ] [ 0.00339243 0.0018873 -0.0071228 ] [-0.00339243 0.0018873 0.0071228 ] [-0.00339243 -0.0018873 -0.0071228 ] [ 0.00616849 0.00285839 0.00950237] [-0.00616849 0.00285839 -0.00950237] [ 0.00616849 -0.00285839 -0.00950237] [-0.00616849 -0.00285839 0.00950237] [ 0.00167951 0.00183759 -0.00147143] [-0.00167951 -0.00183759 -0.00147143] [-0.00167951 0.00183759 0.00147143] [ 0.00167951 -0.00183759 0.00147143] [ 0.00021076 0.00739504 -0.00362024] [-0.00021076 -0.00739504 -0.00362024] [-0.00021076 0.00739504 0.00362024] [ 0.00021076 -0.00739504 0.00362024]] Final stress: [ 1.15100528e-04 4.14720029e-05 -1.30329742e-04 -3.35030669e-16 -1.10041218e-14 -1.69488563e-14] Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00452935 -0.00050132 -0.00123505] [ 0.00452935 0.00050132 -0.00123505] [ 0.00452935 -0.00050132 0.00123505] [-0.00452935 0.00050132 0.00123505] [ 0.003868 0.00387869 0.01020707] [-0.003868 -0.00387869 0.01020707] [-0.003868 0.00387869 -0.01020707] [ 0.003868 -0.00387869 -0.01020707] [-0.01730943 0.0091301 0.00672108] [-0.01730943 -0.0091301 -0.00672108] [ 0.01730943 -0.0091301 0.00672108] [ 0.01730943 0.0091301 -0.00672108] [-0.0118851 0.01275243 0.00543455] [ 0.0118851 0.01275243 -0.00543455] [-0.0118851 -0.01275243 -0.00543455] [ 0.0118851 -0.01275243 0.00543455] [-0.0152287 0.01772799 0.00900047] [ 0.0152287 -0.01772799 0.00900047] [ 0.0152287 0.01772799 -0.00900047] [-0.0152287 -0.01772799 -0.00900047] [-0.00818489 0.0172325 0.00236773] [ 0.00818489 -0.0172325 0.00236773] [ 0.00818489 0.0172325 -0.00236773] [-0.00818489 -0.0172325 -0.00236773]] Final stress: [-3.30023681e-04 -2.75480663e-04 -2.56281800e-04 -4.78104714e-14 -8.70343582e-14 -5.15889977e-16] Minimization converged after 103 steps. Minimization converged after 102 steps. Minimization converged after 98 steps. Minimization converged after 97 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 87 steps. Minimization converged after 84 steps. Minimization converged after 100 steps. Minimization converged after 100 steps. Minimization converged after 81 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00012617 -0.00239355 -0.00137519] [ 0.00012617 0.00239355 -0.00137519] [ 0.00012617 -0.00239355 0.00137519] [-0.00012617 0.00239355 0.00137519] [ 0.00023248 0.00533004 0.00411214] [-0.00023248 -0.00533004 0.00411214] [-0.00023248 0.00533004 -0.00411214] [ 0.00023248 -0.00533004 -0.00411214] [-0.003074 -0.00418505 0.00707309] [-0.003074 0.00418505 -0.00707309] [ 0.003074 0.00418505 0.00707309] [ 0.003074 -0.00418505 -0.00707309] [-0.00014823 0.00289728 -0.00884077] [ 0.00014823 0.00289728 0.00884077] [-0.00014823 -0.00289728 0.00884077] [ 0.00014823 -0.00289728 -0.00884077] [-0.00542747 0.00515248 0.00461056] [ 0.00542747 -0.00515248 0.00461056] [ 0.00542747 0.00515248 -0.00461056] [-0.00542747 -0.00515248 -0.00461056] [-0.00058379 0.00803601 -0.00236395] [ 0.00058379 -0.00803601 -0.00236395] [ 0.00058379 0.00803601 0.00236395] [-0.00058379 -0.00803601 0.00236395]] Final stress: [ 1.07437745e-04 4.14970137e-04 1.45778483e-04 5.41945177e-16 -8.78053184e-16 -8.98566524e-15] Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 58 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.0028038 -0.00340618 0.0080578 ] [ 0.0028038 0.00340618 0.0080578 ] [ 0.0028038 -0.00340618 -0.0080578 ] [-0.0028038 0.00340618 -0.0080578 ] [-0.001837 0.00718873 0.00343718] [ 0.001837 -0.00718873 0.00343718] [ 0.001837 0.00718873 -0.00343718] [-0.001837 -0.00718873 -0.00343718] [ 0.00285654 0.00948759 0.0061514 ] [ 0.00285654 -0.00948759 -0.0061514 ] [-0.00285654 -0.00948759 0.0061514 ] [-0.00285654 0.00948759 -0.0061514 ] [-0.00576702 0.00053492 -0.00354129] [ 0.00576702 0.00053492 0.00354129] [-0.00576702 -0.00053492 0.00354129] [ 0.00576702 -0.00053492 -0.00354129] [ 0.00187701 -0.00151764 0.00168727] [-0.00187701 0.00151764 0.00168727] [-0.00187701 -0.00151764 -0.00168727] [ 0.00187701 0.00151764 -0.00168727] [ 0.00733704 -0.00357071 0.00022235] [-0.00733704 0.00357071 0.00022235] [-0.00733704 -0.00357071 -0.00022235] [ 0.00733704 0.00357071 -0.00022235]] Final stress: [ 4.14972112e-05 -1.31042674e-04 1.15763998e-04 -7.46278296e-15 -5.95607042e-15 3.84823166e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00051975 -0.0012532 -0.00454454] [ 0.00051975 0.0012532 -0.00454454] [ 0.00051975 -0.0012532 0.00454454] [-0.00051975 0.0012532 0.00454454] [ 0.00912103 0.00670968 -0.01729602] [-0.00912103 -0.00670968 -0.01729602] [-0.00912103 0.00670968 0.01729602] [ 0.00912103 -0.00670968 0.01729602] [ 0.01274687 0.00543117 -0.01187897] [ 0.01274687 -0.00543117 0.01187897] [-0.01274687 -0.00543117 -0.01187897] [-0.01274687 0.00543117 0.01187897] [ 0.00386836 0.01019998 0.0038652 ] [-0.00386836 0.01019998 -0.0038652 ] [ 0.00386836 -0.01019998 -0.0038652 ] [-0.00386836 -0.01019998 0.0038652 ] [ 0.01772225 0.00900609 -0.01520968] [-0.01772225 -0.00900609 -0.01520968] [-0.01772225 0.00900609 0.01520968] [ 0.01772225 -0.00900609 0.01520968] [ 0.01723511 0.00237721 -0.00815837] [-0.01723511 -0.00237721 -0.00815837] [-0.01723511 0.00237721 0.00815837] [ 0.01723511 -0.00237721 0.00815837]] Final stress: [-2.75287787e-04 -2.56299882e-04 -3.30011745e-04 -1.18062531e-13 -7.62589203e-14 -9.82469396e-14] Minimization converged after 96 steps. Minimization converged after 97 steps. Minimization converged after 81 steps. Minimization converged after 82 steps. Minimization converged after 102 steps. Minimization converged after 105 steps. Minimization converged after 98 steps. Minimization converged after 96 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 86 steps. Minimization converged after 82 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.0013752 -0.00012619 -0.00239354] [ 0.0013752 0.00012619 -0.00239354] [ 0.0013752 -0.00012619 0.00239354] [-0.0013752 0.00012619 0.00239354] [-0.00884072 -0.00014823 0.00289729] [ 0.00884072 0.00014823 0.00289729] [ 0.00884072 -0.00014823 -0.00289729] [-0.00884072 0.00014823 -0.00289729] [ 0.00411213 0.0002325 0.00533005] [ 0.00411213 -0.0002325 -0.00533005] [-0.00411213 -0.0002325 0.00533005] [-0.00411213 0.0002325 -0.00533005] [ 0.00707309 -0.00307403 -0.00418502] [-0.00707309 -0.00307403 0.00418502] [ 0.00707309 0.00307403 0.00418502] [-0.00707309 0.00307403 -0.00418502] [ 0.00461056 -0.00542745 0.00515248] [-0.00461056 0.00542745 0.00515248] [-0.00461056 -0.00542745 -0.00515248] [ 0.00461056 0.00542745 -0.00515248] [-0.00236394 -0.00058382 0.00803601] [ 0.00236394 0.00058382 0.00803601] [ 0.00236394 -0.00058382 -0.00803601] [-0.00236394 0.00058382 -0.00803601]] Final stress: [ 1.45778184e-04 1.07437377e-04 4.14970151e-04 -4.29852287e-15 -2.56745070e-15 -7.13934652e-16] Minimization converged after 51 steps. Minimization converged after 105 steps. Minimization converged after 106 steps. Minimization converged after 86 steps. Minimization converged after 84 steps. Minimization converged after 97 steps. Minimization converged after 96 steps. Minimization converged after 84 steps. Minimization converged after 80 steps. Minimization converged after 105 steps. Minimization converged after 102 steps. Minimization converged after 97 steps. Minimization converged after 97 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-0.00582987 0.00023262 0.00110145] [ 0.00085342 -0.00356151 -0.00876423] [ 0.00085342 0.00356151 0.00876423] [-0.00582987 -0.00023262 -0.00110145] [ 0.01006284 -0.00507459 0.00836309] [-0.00078836 0.00322303 0.00119749] [-0.00078836 -0.00322303 -0.00119749] [ 0.01006284 0.00507459 -0.00836309] [ 0.00031628 0.0046161 -0.00202291] [ 0.00031628 -0.0046161 0.00202291] [-0.00321708 0.00221805 0.00093002] [-0.00321708 -0.00221805 -0.00093002] [-0.00317143 0.00214403 0.00038054] [ 0.00102357 0.00619315 0.00377523] [-0.00317143 -0.00214403 -0.00038054] [ 0.00102357 -0.00619315 -0.00377523] [-0.00474948 -0.00214731 0.00056621] [ 0.0047773 -0.00099476 -0.00066889] [ 0.0047773 0.00099476 0.00066889] [-0.00474948 0.00214731 -0.00056621] [-0.000643 0.00183131 -0.00083228] [ 0.00136581 -0.00439965 -0.0001695 ] [ 0.00136581 0.00439965 0.0001695 ] [-0.000643 -0.00183131 0.00083228]] Final stress: [ 3.80089536e-04 1.13424256e-04 3.18141980e-04 6.03913444e-04 -6.74360642e-14 4.70289192e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-0.00213852 0.00317576 -0.00961642] [ 0.0061 0.00108367 0.00023232] [ 0.0061 -0.00108367 -0.00023232] [-0.00213852 -0.00317576 0.00961642] [ 0.0006281 -0.00336007 0.00256316] [-0.01010619 0.00589162 0.00703343] [-0.01010619 -0.00589162 -0.00703343] [ 0.0006281 0.00336007 -0.00256316] [ 0.00326312 -0.00185924 0.00109133] [ 0.00326312 0.00185924 -0.00109133] [-0.00045765 -0.00467913 -0.00241323] [-0.00045765 0.00467913 0.00241323] [-0.001151 0.00629105 -0.00395026] [ 0.00396243 0.00236987 -0.00031214] [-0.001151 -0.00629105 0.00395026] [ 0.00396243 -0.00236987 0.00031214] [-0.00445247 0.00060384 -0.00110808] [ 0.00483311 0.00078525 0.00094315] [ 0.00483311 -0.00078525 -0.00094315] [-0.00445247 -0.00060384 0.00110808] [-0.00121793 0.00473622 0.00076978] [ 0.00073701 -0.00162897 -0.00079898] [ 0.00073701 0.00162897 0.00079898] [-0.00121793 -0.00473622 -0.00076978]] Final stress: [ 3.99781492e-04 1.31206592e-04 3.33873204e-04 -6.07245419e-04 -7.99669464e-14 -4.60825285e-14] Minimization converged after 151 steps. Minimization converged after 151 steps. Minimization converged after 151 steps. Minimization converged after 152 steps. Minimization converged after 154 steps. Minimization converged after 152 steps. Minimization converged after 151 steps. Minimization converged after 152 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[ 0.00036535 -0.00590672 -0.00071232] [ 0.00933858 0.0019762 0.00312555] [-0.00036535 -0.00590672 0.00071232] [-0.00933858 0.0019762 -0.00312555] [ 0.0003129 -0.00383724 0.00245769] [ 0.00374018 0.00091763 0.00621041] [-0.0003129 -0.00383724 -0.00245769] [-0.00374018 0.00091763 -0.00621041] [ 0.00736197 0.01026492 -0.00542699] [ 0.00233937 -0.00052253 0.00328439] [-0.00233937 -0.00052253 -0.00328439] [-0.00736197 0.01026492 0.00542699] [-0.00212025 0.00023406 0.00455737] [ 0.00212025 0.00023406 -0.00455737] [ 0.00082679 -0.00334156 0.00190722] [-0.00082679 -0.00334156 -0.00190722] [ 0.00091996 -0.0048175 -0.0011351 ] [ 0.00082882 0.00446891 0.00075947] [-0.00091996 -0.0048175 0.0011351 ] [-0.00082882 0.00446891 -0.00075947] [-0.00094458 -0.0007431 0.00166605] [-0.00069073 0.00130691 0.00482376] [ 0.00094458 -0.0007431 -0.00166605] [ 0.00069073 0.00130691 -0.00482376]] Final stress: [ 3.28215954e-04 3.91638510e-04 1.26429229e-04 -6.74130722e-14 6.05475888e-04 7.83723721e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-0.00940945 -0.00204189 0.00310002] [-0.00037016 0.00589991 -0.00074321] [ 0.00940945 -0.00204189 -0.00310002] [ 0.00037016 0.00589991 0.00074321] [-0.00380044 -0.00094716 0.00617904] [-0.0003531 0.00386279 0.00249915] [ 0.00380044 -0.00094716 -0.00617904] [ 0.0003531 0.00386279 -0.00249915] [ 0.002399 0.00055159 -0.0033004 ] [ 0.0073061 -0.01024076 0.00547166] [-0.0073061 -0.01024076 -0.00547166] [-0.002399 0.00055159 0.0033004 ] [ 0.00085322 0.00334168 -0.00189614] [-0.00085322 0.00334168 0.00189614] [-0.00215323 -0.00026035 -0.00457882] [ 0.00215323 -0.00026035 0.00457882] [-0.00089304 -0.00446613 0.00067051] [-0.00094576 0.00481995 -0.00103249] [ 0.00089304 -0.00446613 -0.00067051] [ 0.00094576 0.00481995 0.00103249] [ 0.00071175 -0.00128289 0.00484644] [ 0.00093451 0.00076327 0.00163163] [-0.00071175 -0.00128289 -0.00484644] [-0.00093451 0.00076327 -0.00163163]] Final stress: [ 3.29441134e-04 3.93106485e-04 1.27526996e-04 1.95826415e-13 -6.05985918e-04 -6.95418354e-14] Minimization converged after 155 steps. Minimization converged after 154 steps. Minimization converged after 156 steps. Minimization converged after 155 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-0.00077325 0.00033056 -0.00593036] [ 0.00077325 -0.00033056 -0.00593036] [-0.00309528 -0.00938576 0.00203849] [ 0.00309528 0.00938576 0.00203849] [ 0.00455511 -0.00215732 0.00026113] [-0.00455511 0.00215732 0.00026113] [ 0.00188954 0.00086358 -0.0033025 ] [-0.00188954 -0.00086358 -0.0033025 ] [ 0.00248295 0.00034165 -0.00384881] [ 0.00619558 0.00378079 0.00096324] [-0.00248295 -0.00034165 -0.00384881] [-0.00619558 -0.00378079 0.00096324] [-0.00546439 0.00730899 0.01021473] [ 0.00329055 0.00238435 -0.00055033] [-0.00329055 -0.00238435 -0.00055033] [ 0.00546439 -0.00730899 0.01021473] [-0.00101881 0.00096068 -0.00480386] [ 0.00101881 -0.00096068 -0.00480386] [-0.00070043 -0.00087077 0.00445006] [ 0.00070043 0.00087077 0.00445006] [ 0.00165575 -0.00091699 -0.00076959] [-0.00165575 0.00091699 -0.00076959] [-0.00484304 0.00071791 0.0012778 ] [ 0.00484304 -0.00071791 0.0012778 ]] Final stress: [ 1.27059611e-04 3.28573448e-04 3.92104100e-04 -1.00296816e-13 9.04998631e-15 6.06176507e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[ 4.19305585e-03 -8.30764514e-03 2.27883506e-05] [-4.19305586e-03 8.30764513e-03 2.27883664e-05] [-5.90853208e-04 1.53858218e-03 5.83777118e-03] [ 5.90853191e-04 -1.53858215e-03 5.83777120e-03] [-2.28171657e-03 1.25265100e-03 3.13524194e-03] [ 2.28171658e-03 -1.25265100e-03 3.13524196e-03] [-4.70935507e-03 -2.16880251e-03 -5.30496509e-04] [ 4.70935505e-03 2.16880252e-03 -5.30496501e-04] [ 6.12025128e-03 -3.90518219e-03 -1.26408431e-03] [ 1.69682725e-03 -2.68822738e-04 2.94507588e-03] [-6.12025125e-03 3.90518223e-03 -1.26408438e-03] [-1.69682720e-03 2.68822700e-04 2.94507593e-03] [-3.46450538e-03 4.42406298e-04 8.52879125e-04] [ 5.29950945e-03 8.55049814e-03 -9.79615574e-03] [-5.29950944e-03 -8.55049813e-03 -9.79615575e-03] [ 3.46450538e-03 -4.42406325e-04 8.52879118e-04] [ 9.33712394e-04 -1.02711988e-03 -5.03131587e-03] [-9.33712410e-04 1.02711986e-03 -5.03131591e-03] [ 2.62351087e-03 1.07501660e-04 4.78250345e-03] [-2.62351091e-03 -1.07501626e-04 4.78250339e-03] [ 3.67873430e-03 -8.07752596e-04 -1.48548471e-03] [-3.67873431e-03 8.07752626e-04 -1.48548470e-03] [-1.71548996e-03 -7.56131693e-04 5.31277226e-04] [ 1.71548995e-03 7.56131640e-04 5.31277258e-04]] Final stress: [ 1.07602120e-04 3.13490004e-04 3.78447033e-04 -7.65402912e-14 -2.73139381e-14 -6.05226686e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-4.43948070e-04 1.11144120e-03 2.44045291e-03] [ 4.43948066e-04 -1.11144120e-03 2.44045291e-03] [ 4.43948063e-04 1.11144121e-03 -2.44045291e-03] [-4.43948068e-04 -1.11144120e-03 -2.44045291e-03] [-5.62621394e-03 1.66501431e-02 -6.44671514e-03] [ 5.62621393e-03 -1.66501431e-02 -6.44671513e-03] [ 5.62621394e-03 1.66501431e-02 6.44671514e-03] [-5.62621394e-03 -1.66501431e-02 6.44671515e-03] [-2.45559633e-03 -1.51730621e-02 1.11472245e-03] [-2.45559634e-03 1.51730621e-02 -1.11472244e-03] [ 2.45559634e-03 1.51730621e-02 1.11472243e-03] [ 2.45559635e-03 -1.51730621e-02 -1.11472242e-03] [ 1.26230275e-02 5.03296700e-03 -1.58999284e-05] [-1.26230275e-02 5.03296701e-03 1.58999262e-05] [ 1.26230275e-02 -5.03296701e-03 1.58999220e-05] [-1.26230275e-02 -5.03296701e-03 -1.58999267e-05] [ 2.16901628e-03 3.14717521e-03 -1.30975669e-02] [-2.16901629e-03 -3.14717522e-03 -1.30975669e-02] [-2.16901629e-03 3.14717521e-03 1.30975669e-02] [ 2.16901629e-03 -3.14717520e-03 1.30975669e-02] [ 1.16147650e-02 -6.86606569e-03 1.90909985e-04] [-1.16147650e-02 6.86606570e-03 1.90910000e-04] [-1.16147650e-02 -6.86606570e-03 -1.90909999e-04] [ 1.16147650e-02 6.86606569e-03 -1.90909990e-04]] Final stress: [-1.04844228e-04 -1.57088797e-06 -6.02416244e-05 -3.59818757e-14 9.00210044e-15 -1.10724766e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00126306 0.00021216 -0.00058652] [-0.00126306 -0.00021216 -0.00058652] [-0.00126306 0.00021216 0.00058652] [ 0.00126306 -0.00021216 0.00058652] [ 0.00118361 -0.0061379 0.00252352] [-0.00118361 0.0061379 0.00252352] [-0.00118361 -0.0061379 -0.00252352] [ 0.00118361 0.0061379 -0.00252352] [-0.00045495 0.00682963 0.00233581] [-0.00045495 -0.00682963 -0.00233581] [ 0.00045495 -0.00682963 0.00233581] [ 0.00045495 0.00682963 -0.00233581] [ 0.00178053 0.00100063 0.00317166] [-0.00178053 0.00100063 -0.00317166] [ 0.00178053 -0.00100063 -0.00317166] [-0.00178053 -0.00100063 0.00317166] [-0.00656549 0.00042381 0.00518138] [ 0.00656549 -0.00042381 0.00518138] [ 0.00656549 0.00042381 -0.00518138] [-0.00656549 -0.00042381 -0.00518138] [-0.00039429 0.00189924 0.00131494] [ 0.00039429 -0.00189924 0.00131494] [ 0.00039429 0.00189924 -0.00131494] [-0.00039429 -0.00189924 -0.00131494]] Final stress: [-2.40921173e-04 -4.75076008e-05 -7.98135000e-05 -1.27045964e-14 6.41048918e-16 -5.40173017e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00306983 0.00943283 0.00304058] [-0.00306983 -0.00943283 0.00304058] [-0.00306983 0.00943283 -0.00304058] [ 0.00306983 -0.00943283 -0.00304058] [ 0.00438888 0.03888813 -0.01031897] [-0.00438888 -0.03888813 -0.01031897] [-0.00438888 0.03888813 0.01031897] [ 0.00438888 -0.03888813 0.01031897] [ 0.00328355 0.00461648 0.01108517] [ 0.00328355 -0.00461648 -0.01108517] [-0.00328355 -0.00461648 0.01108517] [-0.00328355 0.00461648 -0.01108517] [-0.00834061 0.03150026 -0.01318119] [ 0.00834061 0.03150026 0.01318119] [-0.00834061 -0.03150026 0.01318119] [ 0.00834061 -0.03150026 -0.01318119] [ 0.00699007 0.02273266 -0.02968403] [-0.00699007 -0.02273266 -0.02968403] [-0.00699007 0.02273266 0.02968403] [ 0.00699007 -0.02273266 0.02968403] [-0.00294347 0.02234015 -0.01828799] [ 0.00294347 -0.02234015 -0.01828799] [ 0.00294347 0.02234015 0.01828799] [-0.00294347 -0.02234015 0.01828799]] Final stress: [1.33962700e-04 5.02812677e-05 3.36108057e-04 3.33885607e-14 4.23845923e-14 6.29989049e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.00352496 -0.0061355 0.00334815] [-0.00352496 0.0061355 0.00334815] [-0.00352496 -0.0061355 -0.00334815] [ 0.00352496 0.0061355 -0.00334815] [-0.00431096 0.00146439 0.00270226] [ 0.00431096 -0.00146439 0.00270226] [ 0.00431096 0.00146439 -0.00270226] [-0.00431096 -0.00146439 -0.00270226] [ 0.00057787 0.00262186 0.00493078] [ 0.00057787 -0.00262186 -0.00493078] [-0.00057787 -0.00262186 0.00493078] [-0.00057787 0.00262186 -0.00493078] [-0.00400876 -0.00083351 0.00310906] [ 0.00400876 -0.00083351 -0.00310906] [-0.00400876 0.00083351 -0.00310906] [ 0.00400876 0.00083351 0.00310906] [ 0.0028775 -0.00428265 0.00207944] [-0.0028775 0.00428265 0.00207944] [-0.0028775 -0.00428265 -0.00207944] [ 0.0028775 0.00428265 -0.00207944] [ 0.00298229 0.00494356 -0.00653048] [-0.00298229 -0.00494356 -0.00653048] [-0.00298229 0.00494356 0.00653048] [ 0.00298229 -0.00494356 0.00653048]] Final stress: [ 4.51100964e-05 -4.36390443e-05 1.75712867e-05 9.21621918e-15 8.62657409e-15 1.39910923e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.0022435 0.00484889 -0.00179911] [ 0.0022435 -0.00484889 -0.00179911] [ 0.0022435 0.00484889 0.00179911] [-0.0022435 -0.00484889 0.00179911] [ 0.00527692 0.00284759 0.00087457] [-0.00527692 -0.00284759 0.00087457] [-0.00527692 0.00284759 -0.00087457] [ 0.00527692 -0.00284759 -0.00087457] [ 0.00067657 -0.00194438 -0.00323852] [ 0.00067657 0.00194438 0.00323852] [-0.00067657 0.00194438 -0.00323852] [-0.00067657 -0.00194438 0.00323852] [ 0.00368007 0.00137891 -0.00154994] [-0.00368007 0.00137891 0.00154994] [ 0.00368007 -0.00137891 0.00154994] [-0.00368007 -0.00137891 -0.00154994] [-0.00052798 0.00115123 0.00031303] [ 0.00052798 -0.00115123 0.00031303] [ 0.00052798 0.00115123 -0.00031303] [-0.00052798 -0.00115123 -0.00031303] [-0.0021346 -0.00062509 0.00445034] [ 0.0021346 0.00062509 0.00445034] [ 0.0021346 -0.00062509 -0.00445034] [-0.0021346 0.00062509 -0.00445034]] Final stress: [-7.57405572e-05 6.78975193e-05 1.71924876e-05 -1.41024262e-14 1.32299594e-14 2.33315843e-14] Minimization converged after 63 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00884413 0.00290005 0.00288482] [-0.00884413 -0.00290005 0.00288482] [-0.00884413 0.00290005 -0.00288482] [ 0.00884413 -0.00290005 -0.00288482] [ 0.00463864 0.01022995 0.0029474 ] [-0.00463864 -0.01022995 0.0029474 ] [-0.00463864 0.01022995 -0.0029474 ] [ 0.00463864 -0.01022995 -0.0029474 ] [ 0.02946562 -0.012183 -0.0078566 ] [ 0.02946562 0.012183 0.0078566 ] [-0.02946562 0.012183 -0.0078566 ] [-0.02946562 -0.012183 0.0078566 ] [ 0.03657195 -0.00932267 0.00449626] [-0.03657195 -0.00932267 -0.00449626] [ 0.03657195 0.00932267 -0.00449626] [-0.03657195 0.00932267 0.00449626] [ 0.02174525 -0.02776709 0.00687549] [-0.02174525 0.02776709 0.00687549] [-0.02174525 -0.02776709 -0.00687549] [ 0.02174525 0.02776709 -0.00687549] [ 0.02062754 -0.01771839 -0.00306451] [-0.02062754 0.01771839 -0.00306451] [-0.02062754 -0.01771839 0.00306451] [ 0.02062754 0.01771839 0.00306451]] Final stress: [6.06698666e-05 3.27816762e-04 1.38445088e-04 1.32874919e-13 1.05770734e-13 1.60996422e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00484345 -0.00180051 -0.00223761] [-0.00484345 0.00180051 -0.00223761] [-0.00484345 -0.00180051 0.00223761] [ 0.00484345 0.00180051 0.00223761] [-0.00193011 -0.00322194 0.00067824] [ 0.00193011 0.00322194 0.00067824] [ 0.00193011 -0.00322194 -0.00067824] [-0.00193011 0.00322194 -0.00067824] [ 0.00136909 -0.00156967 0.00365752] [ 0.00136909 0.00156967 -0.00365752] [-0.00136909 0.00156967 0.00365752] [-0.00136909 -0.00156967 -0.00365752] [ 0.00284923 0.00087945 0.00528044] [-0.00284923 0.00087945 -0.00528044] [ 0.00284923 -0.00087945 -0.00528044] [-0.00284923 -0.00087945 0.00528044] [ 0.00115789 0.00030584 -0.00052807] [-0.00115789 -0.00030584 -0.00052807] [-0.00115789 0.00030584 0.00052807] [ 0.00115789 -0.00030584 0.00052807] [-0.00062842 0.00447655 -0.00215982] [ 0.00062842 -0.00447655 -0.00215982] [ 0.00062842 0.00447655 0.00215982] [-0.00062842 -0.00447655 0.00215982]] Final stress: [ 6.77308286e-05 1.71732193e-05 -7.55494922e-05 8.12192058e-15 1.22450456e-14 -1.76831464e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-0.00613548 0.00334816 0.00352494] [ 0.00613548 -0.00334816 0.00352494] [ 0.00613548 0.00334816 -0.00352494] [-0.00613548 -0.00334816 -0.00352494] [ 0.00262183 0.00493074 0.00057786] [-0.00262183 -0.00493074 0.00057786] [-0.00262183 0.00493074 -0.00057786] [ 0.00262183 -0.00493074 -0.00057786] [-0.00083349 0.00310912 -0.00400871] [-0.00083349 -0.00310912 0.00400871] [ 0.00083349 -0.00310912 -0.00400871] [ 0.00083349 0.00310912 0.00400871] [ 0.00146437 0.00270225 -0.00431099] [-0.00146437 0.00270225 0.00431099] [ 0.00146437 -0.00270225 0.00431099] [-0.00146437 -0.00270225 -0.00431099] [-0.00428264 0.00207946 0.00287747] [ 0.00428264 -0.00207946 0.00287747] [ 0.00428264 0.00207946 -0.00287747] [-0.00428264 -0.00207946 -0.00287747] [ 0.00494356 -0.00653054 0.00298234] [-0.00494356 0.00653054 0.00298234] [-0.00494356 -0.00653054 -0.00298234] [ 0.00494356 0.00653054 -0.00298234]] Final stress: [-4.36387902e-05 1.75712389e-05 4.51098759e-05 1.33025838e-14 9.47265827e-15 -6.05215544e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[ 3.05818498e-03 -6.42974315e-04 -2.05209308e-03] [-3.05818525e-03 6.42974076e-04 -2.05209269e-03] [-3.05818518e-03 -6.42974077e-04 2.05209284e-03] [ 3.05818519e-03 6.42974134e-04 2.05209289e-03] [-2.11638933e-03 -3.98492741e-03 2.88615415e-03] [ 2.11638945e-03 3.98492756e-03 2.88615415e-03] [ 2.11638961e-03 -3.98492782e-03 -2.88615399e-03] [-2.11638953e-03 3.98492765e-03 -2.88615409e-03] [ 2.67414030e-03 -4.21163628e-03 -2.48753179e-03] [ 2.67414043e-03 4.21163633e-03 2.48753183e-03] [-2.67414015e-03 4.21163640e-03 -2.48753195e-03] [-2.67414023e-03 -4.21163642e-03 2.48753202e-03] [-4.71791593e-03 -8.09629653e-03 3.33648152e-03] [ 4.71791589e-03 -8.09629632e-03 -3.33648154e-03] [-4.71791613e-03 8.09629658e-03 -3.33648139e-03] [ 4.71791593e-03 8.09629649e-03 3.33648147e-03] [ 2.29855128e-05 3.87984084e-03 -2.19167994e-03] [-2.29854801e-05 -3.87984082e-03 -2.19168018e-03] [-2.29857131e-05 3.87984062e-03 2.19168003e-03] [ 2.29854195e-05 -3.87984051e-03 2.19167986e-03] [ 7.72004733e-03 -1.14636092e-02 6.50042152e-03] [-7.72004723e-03 1.14636094e-02 6.50042137e-03] [-7.72004692e-03 -1.14636094e-02 -6.50042158e-03] [ 7.72004703e-03 1.14636090e-02 -6.50042146e-03]] Final stress: [ 4.17040695e-03 1.13232290e-03 4.90667614e-03 4.26638759e-13 -6.31417034e-13 -4.33738610e-13] Minimization converged after 95 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 59 steps. Final forces: [[ 0.03779404 0.02744513 -0.03493224] [-0.04809785 0.07870318 0.00108119] [-0.04809786 -0.07870318 -0.0010812 ] [ 0.03779403 -0.02744512 0.03493225] [ 0.02822412 -0.03626086 0.07446835] [ 0.03174584 0.06490741 -0.01978276] [ 0.03174584 -0.06490741 0.01978274] [ 0.02822413 0.03626085 -0.07446834] [ 0.02367949 -0.00884834 0.00500189] [ 0.02367949 0.00884833 -0.00500189] [-0.0236992 -0.03169236 -0.0470187 ] [-0.02369921 0.03169236 0.0470187 ] [ 0.08213035 -0.01958244 -0.00222291] [-0.12003128 -0.05900285 0.04320809] [ 0.08213038 0.01958243 0.0022229 ] [-0.12003132 0.05900282 -0.04320807] [ 0.00746492 -0.00736618 -0.07968712] [ 0.00976921 -0.03282557 -0.09049162] [ 0.00976923 0.03282559 0.09049161] [ 0.00746494 0.00736618 0.07968713] [-0.00922101 0.01128587 0.02511595] [-0.01975862 0.03509991 -0.00958654] [-0.01975863 -0.03509991 0.00958656] [-0.00922102 -0.01128586 -0.02511598]] Final stress: [ 1.47878000e-03 7.19024984e-03 4.26835655e-03 -5.15424083e-04 4.41273549e-11 1.36425832e-11] Minimization converged after 101 steps. Minimization converged after 98 steps. Minimization converged after 100 steps. Minimization converged after 100 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-0.00847146 0.00808901 0.026491 ] [ 0.01088176 0.00062543 -0.01549162] [ 0.00847146 0.00808901 -0.026491 ] [-0.01088176 0.00062543 0.01549162] [-0.00639967 -0.0223027 0.00742966] [-0.01003617 0.024758 0.00581955] [ 0.00639967 -0.0223027 -0.00742966] [ 0.01003617 0.024758 -0.00581955] [ 0.02633694 0.02335616 0.03124126] [-0.00538019 0.00444269 0.00133735] [ 0.00538019 0.00444269 -0.00133735] [-0.02633694 0.02335616 -0.03124126] [-0.00424523 -0.00038598 -0.01880569] [ 0.00424523 -0.00038598 0.01880569] [-0.01381019 0.00312334 0.02678905] [ 0.01381019 0.00312334 -0.02678905] [-0.01267973 -0.01010513 0.02808376] [-0.01880552 -0.00910717 -0.03540541] [ 0.01267973 -0.01010513 -0.02808376] [ 0.01880552 -0.00910717 0.03540541] [-0.00820761 -0.00542905 0.02464782] [-0.00972429 -0.0170646 0.01733927] [ 0.00820761 -0.00542905 -0.02464782] [ 0.00972429 -0.0170646 -0.01733927]] Final stress: [ 7.36059503e-04 3.63375019e-05 5.25588107e-05 -2.41529893e-14 -5.39057106e-04 1.54210921e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-0.01088254 -0.00062548 -0.01549203] [ 0.00847126 -0.00808886 0.02649092] [ 0.01088254 -0.00062548 0.01549203] [-0.00847126 -0.00808886 -0.02649092] [ 0.01003636 -0.02475854 0.00581889] [ 0.0064 0.02230284 0.00742955] [-0.01003636 -0.02475854 -0.00581889] [-0.0064 0.02230284 -0.00742955] [-0.00538172 -0.00444267 -0.00133837] [ 0.02633878 -0.02335746 -0.03124373] [-0.02633878 -0.02335746 0.03124373] [ 0.00538172 -0.00444267 0.00133837] [-0.01381199 -0.00312535 -0.02679096] [ 0.01381199 -0.00312535 0.02679096] [-0.00424432 0.00038471 0.01880533] [ 0.00424432 0.00038471 -0.01880533] [ 0.01880771 0.00910976 -0.0354066 ] [ 0.01268035 0.01010625 0.02808399] [-0.01880771 0.00910976 0.0354066 ] [-0.01268035 0.01010625 -0.02808399] [ 0.00972513 0.01706414 0.01733909] [ 0.00820872 0.00543065 0.02464996] [-0.00972513 0.01706414 -0.01733909] [-0.00820872 0.00543065 -0.02464996]] Final stress: [7.36056079e-04 3.63244400e-05 5.25425641e-05 1.96264044e-14 5.39050941e-04 9.33659257e-16] Minimization converged after 93 steps. Minimization converged after 95 steps. Minimization converged after 82 steps. Minimization converged after 84 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 2.44043811e-03 -4.43959804e-04 1.11143607e-03] [-2.44043811e-03 4.43959802e-04 1.11143607e-03] [-2.44043811e-03 -4.43959803e-04 -1.11143607e-03] [ 2.44043811e-03 4.43959802e-04 -1.11143607e-03] [-1.59167865e-05 1.26229127e-02 5.03301387e-03] [ 1.59167928e-05 -1.26229127e-02 5.03301387e-03] [ 1.59167895e-05 1.26229127e-02 -5.03301387e-03] [-1.59167862e-05 -1.26229127e-02 -5.03301387e-03] [-6.44663763e-03 -5.62617901e-03 1.66500279e-02] [-6.44663762e-03 5.62617900e-03 -1.66500279e-02] [ 6.44663763e-03 5.62617901e-03 1.66500279e-02] [ 6.44663764e-03 -5.62617901e-03 -1.66500278e-02] [ 1.11465096e-03 -2.45549633e-03 -1.51730022e-02] [-1.11465097e-03 -2.45549633e-03 1.51730022e-02] [ 1.11465096e-03 2.45549633e-03 1.51730022e-02] [-1.11465095e-03 2.45549633e-03 -1.51730022e-02] [-1.30974834e-02 2.16911357e-03 3.14722927e-03] [ 1.30974834e-02 -2.16911357e-03 3.14722927e-03] [ 1.30974834e-02 2.16911357e-03 -3.14722926e-03] [-1.30974834e-02 -2.16911357e-03 -3.14722927e-03] [ 1.90877511e-04 1.16147032e-02 -6.86607931e-03] [-1.90877522e-04 -1.16147032e-02 -6.86607931e-03] [-1.90877521e-04 1.16147032e-02 6.86607931e-03] [ 1.90877523e-04 -1.16147032e-02 6.86607932e-03]] Final stress: [-6.02379996e-05 -1.04839406e-04 -1.56756675e-06 -1.16370452e-15 -2.04669767e-14 4.96256381e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-0.00058517 0.00126492 0.00021379] [ 0.00058517 -0.00126492 0.00021379] [ 0.00058517 0.00126492 -0.00021379] [-0.00058517 -0.00126492 -0.00021379] [ 0.00317084 0.00178227 0.00100081] [-0.00317084 -0.00178227 0.00100081] [-0.00317084 0.00178227 -0.00100081] [ 0.00317084 -0.00178227 -0.00100081] [ 0.00252383 0.00118266 -0.0061368 ] [ 0.00252383 -0.00118266 0.0061368 ] [-0.00252383 -0.00118266 -0.0061368 ] [-0.00252383 0.00118266 0.0061368 ] [ 0.0023336 -0.0004579 0.00682672] [-0.00233361 -0.0004579 -0.00682672] [ 0.0023336 0.0004579 -0.00682672] [-0.0023336 0.0004579 0.00682672] [ 0.00518176 -0.00656808 0.00042198] [-0.00518176 0.00656808 0.00042198] [-0.00518176 -0.00656808 -0.00042198] [ 0.00518176 0.00656808 -0.00042198] [ 0.00131547 -0.00039207 0.00190138] [-0.00131547 0.00039207 0.00190138] [-0.00131547 -0.00039207 -0.00190138] [ 0.00131547 0.00039207 -0.00190138]] Final stress: [-7.98550669e-05 -2.41024852e-04 -4.75526959e-05 -6.03677593e-15 -8.72161454e-15 1.26519345e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00300365 0.00303204 0.00932275] [-0.00300365 -0.00303204 0.00932275] [-0.00300365 0.00303204 -0.00932275] [ 0.00300365 -0.00303204 -0.00932275] [-0.01302038 -0.00824924 0.0311472 ] [ 0.01302038 0.00824924 0.0311472 ] [ 0.01302038 -0.00824924 -0.0311472 ] [-0.01302038 0.00824924 -0.0311472 ] [-0.01018387 0.00437182 0.03847532] [-0.01018387 -0.00437182 -0.03847532] [ 0.01018387 -0.00437182 0.03847532] [ 0.01018387 0.00437182 -0.03847532] [ 0.0109552 0.00322808 0.00458921] [-0.0109552 0.00322808 -0.00458921] [ 0.0109552 -0.00322808 -0.00458921] [-0.0109552 -0.00322808 0.00458921] [-0.02934143 0.00694982 0.02252826] [ 0.02934143 -0.00694982 0.02252826] [ 0.02934143 0.00694982 -0.02252826] [-0.02934143 -0.00694982 -0.02252826] [-0.01814182 -0.00294405 0.0220636 ] [ 0.01814182 0.00294405 0.0220636 ] [ 0.01814182 -0.00294405 -0.0220636 ] [-0.01814182 0.00294405 -0.0220636 ]] Final stress: [ 3.33500934e-04 1.34419961e-04 5.17939250e-05 1.17956157e-13 1.09333871e-13 -5.15978866e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 0.00334816 0.00352494 -0.00613549] [-0.00334816 -0.00352494 -0.00613549] [-0.00334816 0.00352494 0.00613549] [ 0.00334816 -0.00352494 0.00613549] [ 0.00310908 -0.00400875 -0.00083346] [-0.00310908 0.00400875 -0.00083346] [-0.00310908 -0.00400875 0.00083346] [ 0.00310908 0.00400875 0.00083346] [ 0.00270227 -0.00431096 0.00146437] [ 0.00270227 0.00431096 -0.00146437] [-0.00270227 0.00431096 0.00146437] [-0.00270227 -0.00431096 -0.00146437] [ 0.00493079 0.00057781 0.00262184] [-0.00493079 0.00057781 -0.00262184] [ 0.00493079 -0.00057781 -0.00262184] [-0.00493079 -0.00057781 0.00262184] [ 0.00207943 0.00287755 -0.00428269] [-0.00207943 -0.00287755 -0.00428269] [-0.00207943 0.00287755 0.00428269] [ 0.00207943 -0.00287755 0.00428269] [-0.00653048 0.00298232 0.00494354] [ 0.00653048 -0.00298232 0.00494354] [ 0.00653048 0.00298232 -0.00494354] [-0.00653048 -0.00298232 -0.00494354]] Final stress: [ 1.75712734e-05 4.51092189e-05 -4.36381569e-05 6.93281419e-15 -3.19050179e-15 1.04444217e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00179968 -0.00224119 0.0048468 ] [ 0.00179968 0.00224119 0.0048468 ] [ 0.00179968 -0.00224119 -0.0048468 ] [-0.00179968 0.00224119 -0.0048468 ] [-0.00155579 0.00367387 0.00137689] [ 0.00155579 -0.00367387 0.00137689] [ 0.00155579 0.00367387 -0.00137689] [-0.00155579 -0.00367387 -0.00137689] [ 0.00087638 0.00527772 0.00284751] [ 0.00087638 -0.00527772 -0.00284751] [-0.00087638 -0.00527772 0.00284751] [-0.00087638 0.00527772 -0.00284751] [-0.0032338 0.00067557 -0.00194005] [ 0.0032338 0.00067557 0.00194005] [-0.0032338 -0.00067557 0.00194005] [ 0.0032338 -0.00067557 -0.00194005] [ 0.00031178 -0.00053006 0.00115432] [-0.00031178 0.00053006 0.00115432] [-0.00031178 -0.00053006 -0.00115432] [ 0.00031178 0.00053006 -0.00115432] [ 0.0044585 -0.00214268 -0.00062603] [-0.0044585 0.00214268 -0.00062603] [-0.0044585 -0.00214268 0.00062603] [ 0.0044585 0.00214268 0.00062603]] Final stress: [ 1.71853602e-05 -7.56956212e-05 6.78605208e-05 2.22635915e-14 -5.96819636e-16 5.50967753e-15] Minimization converged after 63 steps. Minimization converged after 95 steps. Minimization converged after 100 steps. Minimization converged after 83 steps. Minimization converged after 84 steps. Minimization converged after 97 steps. Minimization converged after 98 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 74 steps. Final forces: [[ 0.00520581 0.02312208 0.01422426] [ 0.00471333 -0.01055266 -0.01526355] [-0.00520581 0.02312208 -0.01422426] [-0.00471333 -0.01055267 0.01526355] [ 0.00129335 -0.03288607 0.00189643] [-0.01766853 0.01302544 -0.00019735] [-0.00129335 -0.03288607 -0.00189643] [ 0.01766853 0.01302544 0.00019735] [ 0.01648731 0.01767013 -0.00889213] [ 0.01279072 -0.01519039 -0.015158 ] [-0.01279072 -0.01519039 0.015158 ] [-0.01648731 0.01767013 0.00889213] [ 0.00019256 0.00921564 -0.03035477] [-0.00019256 0.00921564 0.03035477] [-0.02097357 0.0111749 -0.02707667] [ 0.02097357 0.0111749 0.02707667] [ 0.0234104 -0.00092173 -0.00074875] [-0.02475299 -0.00214331 -0.00310189] [-0.0234104 -0.00092173 0.00074875] [ 0.02475299 -0.00214331 0.00310189] [ 0.01094638 -0.01539256 -0.00174019] [-0.01442344 0.00287852 -0.02250698] [-0.01094638 -0.01539256 0.00174019] [ 0.01442344 0.00287852 0.02250698]] Final stress: [ 3.87254768e-03 1.20765605e-02 3.93320141e-03 1.03725193e-12 3.13604834e-04 -4.71857549e-13] Minimization converged after 99 steps. Minimization converged after 101 steps. Minimization converged after 100 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 0.02649167 -0.00847197 0.00808946] [-0.02649167 0.00847197 0.00808946] [ 0.01549163 -0.0108808 0.00062606] [-0.01549163 0.0108808 0.00062606] [-0.01880646 -0.00424649 -0.0003872 ] [ 0.01880646 0.00424649 -0.0003872 ] [ 0.0267865 -0.01380793 0.00312088] [-0.0267865 0.01380793 0.00312088] [ 0.00742916 -0.00639948 -0.02230313] [ 0.00582142 -0.01003598 0.02475725] [-0.00742916 0.00639948 -0.02230313] [-0.00582142 0.01003598 0.02475725] [ 0.03123708 0.02633391 0.02335389] [ 0.00133493 -0.00537721 0.00444275] [-0.00133493 0.00537721 0.00444275] [-0.03123708 -0.02633391 0.02335389] [ 0.02808206 -0.01267812 -0.01010426] [-0.02808206 0.01267812 -0.01010426] [ 0.03540311 0.01880178 -0.00910368] [-0.03540311 -0.01880178 -0.00910368] [ 0.02464446 -0.0082057 -0.00542602] [-0.02464446 0.0082057 -0.00542602] [-0.01734057 0.0097237 -0.017066 ] [ 0.01734057 -0.0097237 -0.017066 ]] Final stress: [ 5.25917900e-05 7.36078164e-04 3.63640553e-05 -6.63471260e-15 3.88692427e-14 -5.39071763e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-0.01549452 -0.01088432 -0.00062659] [ 0.01549452 0.01088432 -0.00062659] [-0.02649248 -0.00847066 -0.00808884] [ 0.02649248 0.00847066 -0.00808884] [-0.02679319 -0.01381308 -0.00312822] [ 0.02679319 0.01381308 -0.00312822] [ 0.01880568 -0.0042439 0.00038219] [-0.01880568 0.0042439 0.00038219] [ 0.00581743 0.01003713 -0.02476022] [ 0.00743085 0.00640094 0.02230353] [-0.00581743 -0.01003713 -0.02476022] [-0.00743085 -0.00640094 0.02230353] [-0.00134053 -0.00538513 -0.00444401] [-0.03124668 0.02634288 -0.02335955] [ 0.03124668 -0.02634288 -0.02335955] [ 0.00134053 0.00538513 -0.00444401] [-0.03540868 0.0188121 0.00911231] [ 0.03540868 -0.0188121 0.00911231] [-0.0280862 -0.01268482 0.01010799] [ 0.0280862 0.01268482 0.01010799] [ 0.01734064 0.00972646 0.01706781] [-0.01734064 -0.00972646 0.01706781] [-0.0246513 -0.00820901 0.00543362] [ 0.0246513 0.00820901 0.00543362]] Final stress: [5.25482770e-05 7.36091359e-04 3.63316825e-05 7.76081016e-15 1.44146012e-14 5.39067412e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 1.11144407e-03 2.44045165e-03 -4.43950300e-04] [-1.11144408e-03 -2.44045165e-03 -4.43950300e-04] [-1.11144407e-03 2.44045165e-03 4.43950301e-04] [ 1.11144408e-03 -2.44045165e-03 4.43950299e-04] [-1.51730300e-02 1.11469252e-03 -2.45559879e-03] [ 1.51730300e-02 -1.11469252e-03 -2.45559879e-03] [ 1.51730300e-02 1.11469253e-03 2.45559878e-03] [-1.51730300e-02 -1.11469251e-03 2.45559880e-03] [ 5.03299007e-03 -1.58891519e-05 1.26230043e-02] [ 5.03299006e-03 1.58891555e-05 -1.26230043e-02] [-5.03299007e-03 1.58891512e-05 1.26230043e-02] [-5.03299006e-03 -1.58891566e-05 -1.26230043e-02] [ 1.66500957e-02 -6.44667152e-03 -5.62617807e-03] [-1.66500957e-02 -6.44667152e-03 5.62617807e-03] [ 1.66500957e-02 6.44667152e-03 5.62617807e-03] [-1.66500957e-02 6.44667153e-03 -5.62617807e-03] [ 3.14718587e-03 -1.30975381e-02 2.16904921e-03] [-3.14718587e-03 1.30975381e-02 2.16904920e-03] [-3.14718587e-03 -1.30975381e-02 -2.16904921e-03] [ 3.14718586e-03 1.30975381e-02 -2.16904921e-03] [-6.86608460e-03 1.90881804e-04 1.16147387e-02] [ 6.86608460e-03 -1.90881815e-04 1.16147387e-02] [ 6.86608460e-03 1.90881810e-04 -1.16147387e-02] [-6.86608460e-03 -1.90881809e-04 -1.16147387e-02]] Final stress: [-1.56954609e-06 -6.02401819e-05 -1.04842930e-04 -4.23651870e-16 7.66542209e-16 2.38180174e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 0.00021248 -0.00058624 0.00126342] [-0.00021248 0.00058624 0.00126342] [-0.00021248 -0.00058624 -0.00126342] [ 0.00021248 0.00058624 -0.00126342] [ 0.0068291 0.00233542 -0.0004555 ] [-0.0068291 -0.00233542 -0.0004555 ] [-0.0068291 0.00233542 0.0004555 ] [ 0.0068291 -0.00233542 0.0004555 ] [ 0.00100066 0.0031715 0.00178083] [ 0.00100066 -0.0031715 -0.00178083] [-0.00100066 -0.0031715 0.00178083] [-0.00100066 0.0031715 -0.00178083] [-0.0061377 0.0025236 0.00118344] [ 0.0061377 0.0025236 -0.00118344] [-0.0061377 -0.0025236 -0.00118344] [ 0.0061377 -0.0025236 0.00118344] [ 0.00042346 0.00518143 -0.00656598] [-0.00042346 -0.00518143 -0.00656598] [-0.00042346 0.00518143 0.00656598] [ 0.00042346 -0.00518143 0.00656598] [ 0.0018996 0.00131505 -0.00039391] [-0.0018996 -0.00131505 -0.00039391] [-0.0018996 0.00131505 0.00039391] [ 0.0018996 -0.00131505 0.00039391]] Final stress: [-4.75153879e-05 -7.98205651e-05 -2.40939711e-04 1.65932069e-15 -1.02716645e-14 -3.37472838e-15] Minimization converged after 98 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 0.00808921 0.02649115 -0.00847122] [ 0.00062545 0.01549181 -0.01088204] [ 0.00062545 -0.01549181 0.01088204] [ 0.00808921 -0.02649115 0.00847122] [ 0.02335638 0.03124163 0.02633753] [ 0.0044436 0.00133892 -0.00538145] [ 0.0044436 -0.00133892 0.00538145] [ 0.02335638 -0.03124163 -0.02633753] [-0.00038535 -0.01880556 -0.00424495] [-0.00038535 0.01880556 0.00424495] [ 0.00312353 0.02678905 -0.01380984] [ 0.00312353 -0.02678905 0.01380984] [-0.02230219 0.00743017 -0.00639953] [ 0.02475846 0.00581923 -0.01003603] [-0.02230219 -0.00743017 0.00639953] [ 0.02475846 -0.00581923 0.01003603] [-0.01010574 0.02808499 -0.01268089] [-0.00910794 0.03540561 0.01880616] [-0.00910794 -0.03540561 -0.01880616] [-0.01010574 -0.02808499 0.01268089] [-0.00542981 0.02464774 -0.00820725] [-0.01706559 -0.01733872 0.00972426] [-0.01706559 0.01733872 -0.00972426] [-0.00542981 -0.02464774 0.00820725]] Final stress: [ 3.63392058e-05 5.25593279e-05 7.36053131e-04 -5.39053760e-04 5.49004234e-15 1.52065804e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-0.00062535 -0.01549114 -0.01088122] [-0.0080893 -0.02649096 -0.0084716 ] [-0.0080893 0.02649096 0.0084716 ] [-0.00062535 0.01549114 0.01088122] [-0.00444279 -0.00133689 -0.00537901] [-0.02335513 -0.03123963 0.0263355 ] [-0.02335513 0.03123963 -0.0263355 ] [-0.00444279 0.00133689 0.00537901] [-0.00312195 -0.0267879 -0.0138092 ] [-0.00312195 0.0267879 0.0138092 ] [ 0.00038666 0.01880591 -0.00424569] [ 0.00038666 -0.01880591 0.00424569] [-0.02475764 0.00582035 0.01003589] [ 0.02230252 0.00742947 0.0063994 ] [-0.02475764 -0.00582035 -0.01003589] [ 0.02230252 -0.00742947 -0.0063994 ] [ 0.00910599 -0.0354045 0.01880377] [ 0.01010475 -0.02808329 -0.01267871] [ 0.01010475 0.02808329 0.01267871] [ 0.00910599 0.0354045 -0.01880377] [ 0.01706443 0.01733916 0.00972381] [ 0.00542781 -0.02464663 -0.00820684] [ 0.00542781 0.02464663 0.00820684] [ 0.01706443 -0.01733916 -0.00972381]] Final stress: [ 3.63467224e-05 5.25696422e-05 7.36058323e-04 5.39055927e-04 -3.56811402e-14 1.24815900e-14] Minimization converged after 97 steps. Minimization converged after 93 steps. Minimization converged after 81 steps. Minimization converged after 85 steps. Minimization converged after 94 steps. Minimization converged after 103 steps. Minimization converged after 100 steps. Minimization converged after 98 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-5.91488323e-04 7.19802668e-04 6.28433254e-04] [ 1.65491562e-03 3.00086527e-05 -1.64144848e-03] [ 1.65491559e-03 -3.00086126e-05 1.64144846e-03] [-5.91488273e-04 -7.19802715e-04 -6.28433298e-04] [ 1.02093394e-03 -1.47547353e-03 8.98941727e-04] [ 4.06012379e-04 1.50433621e-03 1.35918725e-03] [ 4.06012484e-04 -1.50433638e-03 -1.35918712e-03] [ 1.02093384e-03 1.47547368e-03 -8.98941668e-04] [-1.52557691e-03 7.25756367e-04 2.76038166e-04] [-1.52557682e-03 -7.25756361e-04 -2.76038153e-04] [ 3.80916168e-04 3.57824053e-04 4.68765522e-04] [ 3.80916123e-04 -3.57824057e-04 -4.68765540e-04] [-2.38540321e-03 1.44480778e-03 5.38989243e-04] [ 9.75620901e-04 1.36168438e-03 2.78784163e-04] [-2.38540328e-03 -1.44480779e-03 -5.38989209e-04] [ 9.75620909e-04 -1.36168434e-03 -2.78784184e-04] [-1.44547076e-03 -1.46692578e-04 1.60602887e-05] [ 1.15945856e-03 -5.93094461e-04 -6.05858458e-04] [ 1.15945846e-03 5.93094345e-04 6.05858427e-04] [-1.44547074e-03 1.46692694e-04 -1.60603759e-05] [-1.24152921e-03 2.41264502e-04 -4.19724520e-04] [ 1.59161086e-03 -4.66150510e-04 5.74917993e-05] [ 1.59161103e-03 4.66150593e-04 -5.74918636e-05] [-1.24152933e-03 -2.41264580e-04 4.19724571e-04]] Final stress: [ 8.36592286e-05 4.14340176e-05 6.95926872e-05 3.87607059e-04 -8.93643302e-14 -2.01913359e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-1.73271138e-03 -2.58934869e-06 -1.70130017e-03] [ 4.89745766e-04 -7.83192669e-04 7.45349020e-04] [ 4.89745845e-04 7.83192591e-04 -7.45348960e-04] [-1.73271144e-03 2.58942229e-06 1.70130023e-03] [-3.76378311e-04 -1.50170252e-03 1.49777871e-03] [-1.09835465e-03 1.35391827e-03 9.38005548e-04] [-1.09835482e-03 -1.35391804e-03 -9.38005663e-04] [-3.76378142e-04 1.50170224e-03 -1.49777891e-03] [-4.11192022e-04 -3.74099497e-04 4.91542586e-04] [-4.11192095e-04 3.74099480e-04 -4.91542585e-04] [ 1.53500430e-03 -7.20683347e-04 2.41540585e-04] [ 1.53500438e-03 7.20683379e-04 -2.41540633e-04] [-8.29829833e-04 1.49522359e-03 -1.83174249e-04] [ 2.47943184e-03 1.45034402e-03 -5.31763117e-04] [-8.29829881e-04 -1.49522351e-03 1.83174297e-04] [ 2.47943190e-03 -1.45034408e-03 5.31763095e-04] [-1.20384921e-03 5.00869634e-04 -4.94388859e-04] [ 1.49922587e-03 1.57784562e-04 -2.41743267e-05] [ 1.49922593e-03 -1.57784311e-04 2.41744725e-05] [-1.20384934e-03 -5.00869841e-04 4.94388918e-04] [-1.62177313e-03 4.46462986e-04 6.70647588e-05] [ 1.27068075e-03 -3.87531562e-04 -5.08736604e-04] [ 1.27068058e-03 3.87531410e-04 5.08736554e-04] [-1.62177291e-03 -4.46462876e-04 -6.70646825e-05]] Final stress: [ 8.50163946e-05 4.26167913e-05 7.17807910e-05 -3.87364230e-04 -1.96977484e-13 3.45023765e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[-2.59333957e-03 4.52890999e-04 1.49425284e-03] [ 1.88502266e-03 4.90153412e-04 2.29571678e-04] [ 2.61982641e-03 -2.00860022e-03 -8.87105351e-04] [-3.07913290e-03 8.14987957e-05 8.57001032e-04] [ 9.96172519e-04 -2.54018892e-03 1.93317784e-03] [-2.77496506e-03 3.33001862e-03 1.37036634e-03] [-4.36984344e-04 -4.04527807e-03 -2.33821842e-03] [-8.75691540e-04 6.30723919e-03 -6.86021027e-04] [ 6.74705085e-04 -9.99151574e-04 -9.17420523e-04] [ 2.73741670e-03 -2.62401384e-04 8.52249691e-05] [-7.67728984e-04 -3.51121087e-03 -1.58239482e-03] [-1.75603667e-03 1.73413492e-03 2.32973728e-03] [ 7.69798050e-04 1.75955391e-03 -1.76246100e-03] [ 5.03528724e-04 1.35342833e-03 1.68032252e-04] [-1.51700259e-04 -2.36112973e-03 -2.71622586e-03] [ 1.98860400e-03 -6.89082882e-04 1.74080945e-03] [-2.50390964e-03 -1.65081585e-03 -1.70653206e-03] [ 2.79571532e-03 1.77577851e-03 -2.10283965e-03] [ 1.56172855e-03 -2.42423149e-03 3.31108769e-03] [-1.68990378e-03 2.74941724e-03 2.60580238e-03] [-3.57255207e-04 -1.38837238e-03 -2.04805725e-03] [ 5.30265608e-04 1.95711091e-03 -2.23803387e-03] [ 2.35038259e-03 6.31503069e-04 1.26195322e-03] [-2.42651826e-03 -7.42264540e-04 1.59829285e-03]] Final stress: [ 2.43404734e-04 1.85037932e-04 1.44697091e-04 1.94175922e-04 1.95889887e-04 -1.45614134e-05] Minimization converged after 158 steps. Minimization converged after 160 steps. Minimization converged after 162 steps. Minimization converged after 156 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[-0.00364755 0.00127359 -0.00479479] [ 0.0010773 -0.00012418 -0.00387023] [ 0.0002269 -0.00164737 0.0058585 ] [ 0.0004686 -0.00237869 0.00511452] [ 0.00330882 -0.00436292 0.0035371 ] [-0.00659852 0.00296308 0.00158143] [-0.00053189 -0.00044749 -0.0054713 ] [-0.00142669 0.00180113 -0.00160702] [ 0.0031956 -0.00044294 -0.00120029] [ 0.00314438 0.0032484 -0.00128194] [-0.00163613 -0.00330302 -0.00355419] [-0.00485662 0.0045122 0.00076966] [-0.00714154 0.0045481 0.00115299] [ 0.0110167 0.00194227 0.00112435] [-0.00496584 -0.00345998 -0.00170789] [ 0.00643392 -0.00253151 0.00478372] [-0.00472463 -0.00603448 -0.00325158] [ 0.00307053 0.00354826 -0.00491048] [ 0.00532049 -0.00469545 0.00322066] [-0.00280791 0.00309567 0.00452991] [ 0.00117501 -0.00178155 -0.00427981] [ 0.00314159 0.00387643 -0.00079688] [-0.00141004 -0.00282466 0.00454357] [-0.00183247 0.00322511 0.00050998]] Final stress: [ 3.53268081e-04 2.78372626e-04 4.69193748e-04 1.96046854e-04 2.51097673e-05 -1.90947991e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[-0.00024499 -0.00165249 -0.00588106] [-0.00046488 -0.00238408 -0.00511877] [ 0.00365732 0.00124634 0.00480604] [-0.00105547 -0.00014435 0.00386947] [ 0.00052922 -0.0004689 0.00548614] [ 0.0014242 0.00183844 0.00158552] [-0.00331335 -0.00436361 -0.00354745] [ 0.0065934 0.00298882 -0.00155934] [ 0.00487135 0.00450351 -0.00078031] [ 0.00161915 -0.0033045 0.00355197] [-0.00310953 0.00325794 0.00126623] [-0.00322988 -0.00043638 0.0012183 ] [-0.01103202 0.00196054 -0.00111208] [ 0.00716684 0.00454723 -0.00114724] [-0.00647936 -0.00250165 -0.00476689] [ 0.0050104 -0.00341128 0.00168841] [-0.00534056 -0.00473776 -0.00322087] [ 0.0028051 0.00310248 -0.00456515] [ 0.00474082 -0.00606851 0.00326751] [-0.00306797 0.00353722 0.00493652] [ 0.00141572 -0.00285475 -0.00455795] [ 0.00184767 0.0032333 -0.00050984] [-0.00116853 -0.00179326 0.00429251] [-0.00317464 0.00390571 0.00079836]] Final stress: [ 3.54030805e-04 2.78878816e-04 4.70133949e-04 -1.96055413e-04 2.51983611e-05 1.90936176e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[-0.00046439 0.00019409 -0.00180032] [ 0.0018639 -0.00078626 -0.00245021] [-0.00035323 0.00133272 0.00246542] [-0.00010034 0.00078093 0.00289485] [ 0.00323984 -0.0014974 0.00069604] [-0.00161461 0.00214761 0.00163457] [ 0.00090163 -0.00088634 -0.00062214] [ 0.00025186 0.00011931 -0.00253573] [ 0.00064186 0.00160418 -0.00182711] [ 0.00217063 -0.00249986 0.0001413 ] [-0.00128924 0.0001321 -0.0004739 ] [-0.00161051 -0.00163834 -0.0006803 ] [-0.00314482 0.00126333 0.00255889] [ 0.00241929 0.0017475 -0.00090146] [-0.00585585 -0.0006768 0.00078588] [ 0.00380326 -0.00215942 0.00038651] [-0.00163443 -0.00190471 -0.0025864 ] [ 0.00224828 0.00308257 -0.00148145] [ 0.00152032 -0.00157261 0.00234074] [-0.00255853 0.00246 0.00156668] [-0.00183647 -0.00209491 -0.00049424] [-0.00054331 0.00118349 -0.00218072] [ 0.0012582 -0.00185866 0.00031338] [ 0.00068666 0.00152748 0.00224971]] Final stress: [ 1.72622393e-04 1.34791973e-04 2.26975045e-04 -1.95917544e-04 -1.35397592e-05 -1.94384679e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[ 6.09976389e-04 -6.07751814e-04 7.10353742e-04] [ 1.62078088e-03 1.62896923e-03 -2.31539843e-05] [-6.09976349e-04 -6.07751852e-04 -7.10353699e-04] [-1.62078085e-03 1.62896921e-03 2.31539440e-05] [ 5.37795264e-04 -2.36229376e-03 1.43657293e-03] [ 2.95041317e-04 1.00138639e-03 1.33749554e-03] [-5.37795288e-04 -2.36229374e-03 -1.43657292e-03] [-2.95041279e-04 1.00138633e-03 -1.33749556e-03] [ 8.90571008e-04 1.00839743e-03 -1.49663561e-03] [ 1.32895200e-03 4.11995352e-04 1.50188855e-03] [-1.32895213e-03 4.11995278e-04 -1.50188843e-03] [-8.90571065e-04 1.00839751e-03 1.49663550e-03] [ 2.81399062e-04 -1.51923158e-03 7.24645237e-04] [-2.81399097e-04 -1.51923161e-03 -7.24645249e-04] [ 4.67048629e-04 3.73666268e-04 3.52886806e-04] [-4.67048624e-04 3.73666281e-04 -3.52886799e-04] [ 1.88963575e-05 -1.43570754e-03 -1.48290351e-04] [ 6.32745773e-04 1.15525971e-03 5.99268277e-04] [-1.88962573e-05 -1.43570755e-03 1.48290250e-04] [-6.32745736e-04 1.15525964e-03 -5.99268199e-04] [-4.10786883e-04 -1.23693189e-03 2.09609911e-04] [-5.42602618e-05 1.58224224e-03 4.67779747e-04] [ 4.10786821e-04 -1.23693185e-03 -2.09609864e-04] [ 5.42603196e-05 1.58224233e-03 -4.67779772e-04]] Final stress: [6.91312054e-05 8.33643306e-05 4.11439400e-05 7.82032510e-14 3.87644871e-04 1.36201427e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-1.57805719e-03 -1.59681001e-03 1.22589046e-04] [-6.34043309e-04 5.39901154e-04 6.21182530e-04] [ 1.57805718e-03 -1.59681000e-03 -1.22589063e-04] [ 6.34043314e-04 5.39901152e-04 -6.21182535e-04] [-3.14300681e-04 -9.57568685e-04 1.33347131e-03] [-5.30502095e-04 2.27957192e-03 1.31126026e-03] [ 3.14300702e-04 -9.57568716e-04 -1.33347130e-03] [ 5.30502085e-04 2.27957193e-03 -1.31126024e-03] [ 1.35222577e-03 -2.98755253e-04 -1.37421576e-03] [ 7.71673260e-04 -8.86319336e-04 1.53786655e-03] [-7.71673257e-04 -8.86319320e-04 -1.53786656e-03] [-1.35222574e-03 -2.98755279e-04 1.37421580e-03] [ 4.49922710e-04 -4.44763951e-04 -3.42319860e-04] [-4.49922730e-04 -4.44763931e-04 3.42319852e-04] [ 3.08303422e-04 1.36767284e-03 -7.01788038e-04] [-3.08303383e-04 1.36767282e-03 7.01788011e-04] [-5.68876125e-04 -1.12084628e-03 4.01671235e-04] [ 4.78823342e-05 1.37587438e-03 -1.52428135e-05] [ 5.68876091e-04 -1.12084627e-03 -4.01671208e-04] [-4.78823524e-05 1.37587440e-03 1.52427881e-05] [-4.66533308e-05 -1.47554316e-03 4.03904601e-04] [ 3.40780130e-04 1.21758643e-03 2.25366286e-04] [ 4.66533093e-05 -1.47554320e-03 -4.03904609e-04] [-3.40780119e-04 1.21758639e-03 -2.25366283e-04]] Final stress: [ 6.64548242e-05 8.05448936e-05 3.87412323e-05 5.93105027e-16 -3.87786762e-04 -5.72239710e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[ 0.00238244 -0.00511903 0.00046688] [-0.00126099 0.00480299 -0.00365461] [ 0.00165113 -0.00587273 0.00023581] [ 0.00013078 0.00387439 0.00107058] [-0.00325495 0.00127525 0.00313023] [ 0.00044144 0.00121053 0.00321094] [-0.00451072 -0.00077584 -0.00486581] [ 0.0033046 0.00355752 -0.00162731] [ 0.00343875 0.00169994 -0.00498894] [ 0.00251781 -0.00477948 0.00645859] [-0.00455139 -0.00115271 -0.00715631] [-0.00194904 -0.00112104 0.01103183] [-0.00182124 0.00159618 -0.00142813] [ 0.00045788 0.00548163 -0.00053101] [-0.00297741 -0.001572 -0.00660083] [ 0.00436819 -0.0035419 0.00331093] [-0.00309885 -0.00454811 -0.00280716] [ 0.00605349 0.00325946 -0.00473682] [ 0.00471826 -0.00322304 0.00533238] [-0.00354667 0.00492602 0.00307198] [-0.00323248 -0.0005117 -0.00184097] [ 0.00178924 0.00428934 0.00117355] [ 0.00284031 -0.00455359 -0.00141239] [-0.00389058 0.0007979 0.00315658]] Final stress: [ 2.78768038e-04 4.69890991e-04 3.53811503e-04 -2.51648888e-05 1.90938606e-04 1.96051408e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 37 steps. Final forces: [[-0.00164816 -0.00585404 -0.00021674] [-0.00012314 0.00386403 -0.00107903] [-0.00237311 -0.00512315 -0.00046286] [ 0.00128521 0.00479017 0.00364691] [ 0.00451351 -0.00076246 0.00484927] [-0.00330937 0.00355226 0.00164549] [ 0.00325574 0.00128018 -0.00314227] [-0.00044396 0.0012002 -0.00318942] [ 0.00194186 -0.00112165 -0.01101597] [ 0.00453309 -0.00114362 0.00714509] [-0.00254708 -0.00480076 -0.00641082] [-0.00347908 0.0017233 0.00493787] [-0.00044969 0.00546407 0.00052556] [ 0.00179266 0.00161238 0.0014258 ] [-0.00435866 -0.00354418 -0.00331363] [ 0.00295812 -0.00157952 0.0065997 ] [-0.00467646 -0.00320921 -0.00533885] [ 0.00354401 0.00490468 -0.0030619 ] [ 0.00311189 -0.0045298 0.0028143 ] [-0.00602853 0.00324854 0.00472156] [-0.00282164 -0.00455178 0.00141995] [ 0.00387907 0.00079986 -0.00314422] [ 0.00322028 -0.00050577 0.00182469] [-0.00177658 0.00428626 -0.00118048]] Final stress: [ 2.78308468e-04 4.69039223e-04 3.53093849e-04 2.51222424e-05 1.90947460e-04 -1.96047765e-04] Minimization converged after 161 steps. Minimization converged after 163 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[ 7.97660519e-04 7.68398154e-04 -4.72517282e-04] [-7.97660487e-04 -7.68398131e-04 -4.72517308e-04] [-1.11505080e-05 -1.70372447e-03 1.73315540e-03] [ 1.11504571e-05 1.70372450e-03 1.73315545e-03] [ 7.23990457e-04 2.35083442e-04 -1.53473602e-03] [-7.23990484e-04 -2.35083457e-04 -1.53473607e-03] [ 3.76335420e-04 4.96308951e-04 4.16052332e-04] [-3.76335411e-04 -4.96308956e-04 4.16052371e-04] [ 1.45265285e-03 5.33962592e-04 -2.48991832e-03] [ 1.50726051e-03 1.73407890e-04 8.16193984e-04] [-1.45265279e-03 -5.33962552e-04 -2.48991836e-03] [-1.50726056e-03 -1.73407909e-04 8.16194026e-04] [-1.34405921e-03 9.44771782e-04 1.11050351e-03] [ 1.50290965e-03 1.51273057e-03 3.71471823e-04] [-1.50290951e-03 -1.51273064e-03 3.71471729e-04] [ 1.34405905e-03 -9.44771869e-04 1.11050360e-03] [-1.60759571e-04 -3.30192010e-05 -1.51259258e-03] [ 1.60759425e-04 3.30192099e-05 -1.51259266e-03] [-4.82783996e-04 -4.84340106e-04 1.21119285e-03] [ 4.82784144e-04 4.84340156e-04 1.21119288e-03] [ 3.92406511e-04 -5.27376902e-04 -1.28120210e-03] [-3.92406415e-04 5.27376942e-04 -1.28120198e-03] [-4.39281234e-04 6.12538150e-05 1.63239640e-03] [ 4.39281162e-04 -6.12538124e-05 1.63239632e-03]] Final stress: [ 4.28110133e-05 7.21491299e-05 8.53159365e-05 -7.07343485e-14 2.95983445e-13 3.87383533e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[ 3.96365435e-05 -1.64652936e-03 -1.66820996e-03] [-3.96365643e-05 1.64652932e-03 -1.66820992e-03] [-7.56967878e-04 7.23805730e-04 5.00644546e-04] [ 7.56967796e-04 -7.23805645e-04 5.00644642e-04] [-3.65863062e-04 4.91486161e-04 -4.21866802e-04] [ 3.65863031e-04 -4.91486184e-04 -4.21866773e-04] [-7.01080405e-04 2.26398983e-04 1.49365384e-03] [ 7.01080415e-04 -2.26399009e-04 1.49365394e-03] [ 1.48801705e-03 -1.66295442e-04 -8.23457006e-04] [ 1.42103024e-03 -5.22228365e-04 2.40707034e-03] [-1.48801687e-03 1.66295600e-04 -8.23457244e-04] [-1.42103013e-03 5.22228223e-04 2.40707057e-03] [-1.45053216e-03 1.47581888e-03 -3.51735366e-04] [ 1.32336941e-03 9.49192787e-04 -1.09170446e-03] [-1.32336929e-03 -9.49192782e-04 -1.09170455e-03] [ 1.45053207e-03 -1.47581902e-03 -3.51735307e-04] [ 4.68387628e-04 -4.63073047e-04 -1.19079162e-03] [-4.68387823e-04 4.63072996e-04 -1.19079188e-03] [ 1.49219008e-04 -1.82294366e-05 1.47615474e-03] [-1.49219002e-04 1.82295481e-05 1.47615459e-03] [ 4.51258875e-04 5.47488440e-05 -1.59306865e-03] [-4.51258830e-04 -5.47486412e-05 -1.59306844e-03] [-3.83713903e-04 -5.11109817e-04 1.26331036e-03] [ 3.83713849e-04 5.11109676e-04 1.26331040e-03]] Final stress: [ 4.17585903e-05 7.06981838e-05 8.35758494e-05 -2.94630584e-13 2.24719725e-13 -3.87538502e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-7.59794957e-04 -3.69339723e-04 4.47095797e-05] [ 7.59794959e-04 3.69339725e-04 4.47095777e-05] [ 7.59794958e-04 -3.69339724e-04 -4.47095785e-05] [-7.59794958e-04 3.69339724e-04 -4.47095788e-05] [-1.47871242e-03 3.30379316e-03 -1.38435864e-03] [ 1.47871241e-03 -3.30379316e-03 -1.38435864e-03] [ 1.47871241e-03 3.30379316e-03 1.38435864e-03] [-1.47871241e-03 -3.30379316e-03 1.38435864e-03] [ 6.02453375e-04 -3.87823616e-03 -5.52820531e-04] [ 6.02453373e-04 3.87823616e-03 5.52820532e-04] [-6.02453376e-04 3.87823616e-03 -5.52820528e-04] [-6.02453377e-04 -3.87823616e-03 5.52820529e-04] [ 1.69818427e-03 1.15000558e-03 -4.41295894e-04] [-1.69818427e-03 1.15000557e-03 4.41295895e-04] [ 1.69818427e-03 -1.15000558e-03 4.41295893e-04] [-1.69818428e-03 -1.15000558e-03 -4.41295890e-04] [ 2.06744729e-03 1.09455425e-03 -2.61799010e-03] [-2.06744730e-03 -1.09455425e-03 -2.61799009e-03] [-2.06744729e-03 1.09455425e-03 2.61799009e-03] [ 2.06744730e-03 -1.09455425e-03 2.61799010e-03] [ 2.78792073e-03 -9.39683414e-04 -2.51427298e-04] [-2.78792073e-03 9.39683413e-04 -2.51427296e-04] [-2.78792073e-03 -9.39683413e-04 2.51427297e-04] [ 2.78792073e-03 9.39683418e-04 2.51427293e-04]] Final stress: [1.47775321e-04 4.94592498e-05 4.17896469e-05 2.79939669e-15 3.75772724e-15 7.35026083e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 1.35107462e-03 7.20585277e-04 8.14116145e-05] [-1.35107462e-03 -7.20585278e-04 8.14116154e-05] [-1.35107462e-03 7.20585277e-04 -8.14116152e-05] [ 1.35107462e-03 -7.20585277e-04 -8.14116148e-05] [ 1.51832124e-03 -3.49583755e-03 8.32330399e-04] [-1.51832124e-03 3.49583755e-03 8.32330399e-04] [-1.51832124e-03 -3.49583755e-03 -8.32330398e-04] [ 1.51832124e-03 3.49583755e-03 -8.32330398e-04] [ 2.22328390e-04 4.73372312e-03 9.77607783e-04] [ 2.22328390e-04 -4.73372312e-03 -9.77607783e-04] [-2.22328387e-04 -4.73372312e-03 9.77607781e-04] [-2.22328389e-04 4.73372312e-03 -9.77607781e-04] [-5.25772629e-04 -3.63059145e-04 9.11507621e-04] [ 5.25772629e-04 -3.63059144e-04 -9.11507621e-04] [-5.25772630e-04 3.63059146e-04 -9.11507620e-04] [ 5.25772630e-04 3.63059145e-04 9.11507620e-04] [-2.44902076e-03 -7.63713272e-04 2.24078345e-03] [ 2.44902076e-03 7.63713270e-04 2.24078345e-03] [ 2.44902076e-03 -7.63713271e-04 -2.24078345e-03] [-2.44902076e-03 7.63713271e-04 -2.24078345e-03] [-1.62204292e-03 1.09725908e-03 1.86160537e-05] [ 1.62204292e-03 -1.09725908e-03 1.86160542e-05] [ 1.62204292e-03 1.09725908e-03 -1.86160551e-05] [-1.62204292e-03 -1.09725908e-03 -1.86160530e-05]] Final stress: [-1.43359441e-04 -4.41814609e-05 -4.84869897e-05 -3.36969673e-15 -2.03056193e-15 -1.85164294e-15] Minimization converged after 51 steps. Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.51716633e-03 2.99332303e-03 -1.13806961e-03] [ 1.51716633e-03 -2.99332303e-03 -1.13806962e-03] [ 1.51716633e-03 2.99332303e-03 1.13806961e-03] [-1.51716633e-03 -2.99332303e-03 1.13806961e-03] [ 2.92222945e-03 1.24776380e-03 6.71265527e-05] [-2.92222947e-03 -1.24776382e-03 6.71265633e-05] [-2.92222945e-03 1.24776380e-03 -6.71265535e-05] [ 2.92222946e-03 -1.24776381e-03 -6.71265611e-05] [ 5.02264957e-04 -1.21787688e-03 -2.00784883e-03] [ 5.02264948e-04 1.21787689e-03 2.00784884e-03] [-5.02264950e-04 1.21787689e-03 -2.00784884e-03] [-5.02264965e-04 -1.21787688e-03 2.00784882e-03] [ 2.11273077e-03 6.10220375e-04 -9.65447788e-04] [-2.11273079e-03 6.10220388e-04 9.65447777e-04] [ 2.11273079e-03 -6.10220388e-04 9.65447777e-04] [-2.11273079e-03 -6.10220387e-04 -9.65447776e-04] [-2.17498809e-04 7.88216568e-04 -1.45732260e-04] [ 2.17498797e-04 -7.88216568e-04 -1.45732256e-04] [ 2.17498811e-04 7.88216566e-04 1.45732260e-04] [-2.17498783e-04 -7.88216553e-04 1.45732263e-04] [-1.10879117e-03 -7.53937625e-04 2.52912065e-03] [ 1.10879118e-03 7.53937627e-04 2.52912065e-03] [ 1.10879118e-03 -7.53937617e-04 -2.52912065e-03] [-1.10879117e-03 7.53937622e-04 -2.52912064e-03]] Final stress: [-4.62408919e-05 4.20349044e-05 6.51071612e-06 -1.00970470e-14 1.35686196e-14 -1.75115163e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 41 steps. Final forces: [[ 0.01712129 0.01090598 0.0008583 ] [-0.01712129 -0.01090598 0.0008583 ] [-0.01712129 0.01090598 -0.0008583 ] [ 0.01712129 -0.01090598 -0.0008583 ] [ 0.01794234 -0.0383945 -0.0331627 ] [-0.01794234 0.03839449 -0.0331627 ] [-0.01794233 -0.0383945 0.0331627 ] [ 0.01794234 0.03839449 0.0331627 ] [ 0.05111468 0.06108317 0.00958516] [ 0.05111468 -0.06108317 -0.00958517] [-0.05111468 -0.06108317 0.00958516] [-0.05111468 0.06108317 -0.00958516] [-0.04945733 -0.019057 0.00245975] [ 0.04945733 -0.019057 -0.00245975] [-0.04945733 0.019057 -0.00245975] [ 0.04945733 0.019057 0.00245975] [ 0.0421716 -0.00490583 0.00966577] [-0.0421716 0.00490583 0.00966577] [-0.0421716 -0.00490583 -0.00966577] [ 0.0421716 0.00490583 -0.00966577] [ 0.04446564 -0.01012782 -0.07987358] [-0.04446564 0.01012783 -0.07987357] [-0.04446564 -0.01012783 0.07987358] [ 0.04446564 0.01012783 0.07987358]] Final stress: [6.90391089e-03 3.04774088e-03 1.37914529e-03 1.61122237e-12 1.26820155e-12 3.29561435e-12] Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.97511491e-03 -1.14715785e-03 -1.49088766e-03] [-2.97511490e-03 1.14715785e-03 -1.49088766e-03] [-2.97511490e-03 -1.14715785e-03 1.49088766e-03] [ 2.97511490e-03 1.14715785e-03 1.49088766e-03] [-1.20400079e-03 -2.01323989e-03 5.03476397e-04] [ 1.20400079e-03 2.01323988e-03 5.03476396e-04] [ 1.20400079e-03 -2.01323988e-03 -5.03476402e-04] [-1.20400079e-03 2.01323989e-03 -5.03476393e-04] [ 6.11709639e-04 -9.92241633e-04 2.11960860e-03] [ 6.11709631e-04 9.92241636e-04 -2.11960860e-03] [-6.11709641e-04 9.92241629e-04 2.11960861e-03] [-6.11709634e-04 -9.92241634e-04 -2.11960860e-03] [ 1.24409081e-03 6.20286642e-05 2.93409904e-03] [-1.24409080e-03 6.20286566e-05 -2.93409904e-03] [ 1.24409082e-03 -6.20286732e-05 -2.93409905e-03] [-1.24409082e-03 -6.20286654e-05 2.93409904e-03] [ 7.95648775e-04 -1.37181711e-04 -2.34278944e-04] [-7.95648784e-04 1.37181720e-04 -2.34278951e-04] [-7.95648770e-04 -1.37181714e-04 2.34278944e-04] [ 7.95648777e-04 1.37181716e-04 2.34278947e-04] [-7.54568861e-04 2.53518719e-03 -1.11564038e-03] [ 7.54568863e-04 -2.53518720e-03 -1.11564037e-03] [ 7.54568852e-04 2.53518720e-03 1.11564038e-03] [-7.54568860e-04 -2.53518719e-03 1.11564037e-03]] Final stress: [ 4.21870650e-05 6.49648266e-06 -4.63870740e-05 5.73834768e-15 1.37223989e-14 8.96744754e-15] Minimization converged after 53 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 41 steps. Final forces: [[-0.00622649 -0.0269914 0.00459942] [ 0.00622648 0.0269914 0.00459943] [ 0.00622649 -0.0269914 -0.00459942] [-0.00622648 0.0269914 -0.00459943] [ 0.02110685 0.01285056 0.08995111] [-0.02110685 -0.01285056 0.0899511 ] [-0.02110685 0.01285056 -0.0899511 ] [ 0.02110685 -0.01285055 -0.0899511 ] [-0.04280024 -0.02926759 -0.03984133] [-0.04280024 0.02926759 0.03984133] [ 0.04280024 0.02926759 -0.03984133] [ 0.04280024 -0.02926759 0.03984133] [-0.05674309 -0.03684115 -0.01477648] [ 0.05674309 -0.03684114 0.01477648] [-0.05674309 0.03684114 0.01477648] [ 0.05674309 0.03684115 -0.01477648] [-0.01765627 0.00806325 0.04920974] [ 0.01765628 -0.00806324 0.04920974] [ 0.01765627 0.00806324 -0.04920974] [-0.01765628 -0.00806324 -0.04920974] [ 0.00193968 -0.05239181 0.07918768] [-0.00193968 0.05239182 0.07918768] [-0.00193968 -0.05239181 -0.07918768] [ 0.00193968 0.05239182 -0.07918768]] Final stress: [ 3.25966988e-03 1.71517183e-03 7.40590346e-03 7.94646570e-12 -7.87233676e-13 -9.70795447e-12] Minimization converged after 102 steps. Minimization converged after 100 steps. Minimization converged after 98 steps. Minimization converged after 110 steps. Minimization converged after 104 steps. Minimization converged after 102 steps. Minimization converged after 86 steps. Minimization converged after 81 steps. Minimization converged after 97 steps. Minimization converged after 96 steps. Minimization converged after 83 steps. Minimization converged after 81 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 4.45189943e-05 -7.59952427e-04 -3.69482562e-04] [-4.45189917e-05 7.59952430e-04 -3.69482565e-04] [-4.45189926e-05 -7.59952429e-04 3.69482564e-04] [ 4.45189922e-05 7.59952429e-04 3.69482564e-04] [-4.41459185e-04 1.69782131e-03 1.15022329e-03] [ 4.41459186e-04 -1.69782131e-03 1.15022329e-03] [ 4.41459183e-04 1.69782132e-03 -1.15022329e-03] [-4.41459184e-04 -1.69782131e-03 -1.15022329e-03] [-1.38429779e-03 -1.47874133e-03 3.30355796e-03] [-1.38429780e-03 1.47874133e-03 -3.30355796e-03] [ 1.38429779e-03 1.47874133e-03 3.30355796e-03] [ 1.38429779e-03 -1.47874132e-03 -3.30355797e-03] [-5.53132481e-04 6.02989940e-04 -3.87820813e-03] [ 5.53132482e-04 6.02989936e-04 3.87820813e-03] [-5.53132478e-04 -6.02989939e-04 3.87820812e-03] [ 5.53132476e-04 -6.02989941e-04 -3.87820812e-03] [-2.61783741e-03 2.06786050e-03 1.09478380e-03] [ 2.61783741e-03 -2.06786050e-03 1.09478381e-03] [ 2.61783741e-03 2.06786051e-03 -1.09478381e-03] [-2.61783741e-03 -2.06786051e-03 -1.09478380e-03] [-2.51440960e-04 2.78801015e-03 -9.39534478e-04] [ 2.51440963e-04 -2.78801016e-03 -9.39534477e-04] [ 2.51440959e-04 2.78801015e-03 9.39534481e-04] [-2.51440961e-04 -2.78801015e-03 9.39534475e-04]] Final stress: [4.18010894e-05 1.47790807e-04 4.94702273e-05 4.95089262e-15 4.59019033e-15 6.08853505e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 8.14110024e-05 1.35107125e-03 7.20583768e-04] [-8.14110021e-05 -1.35107125e-03 7.20583768e-04] [-8.14110029e-05 1.35107125e-03 -7.20583769e-04] [ 8.14110028e-05 -1.35107125e-03 -7.20583768e-04] [ 9.11508131e-04 -5.25774918e-04 -3.63058481e-04] [-9.11508132e-04 5.25774918e-04 -3.63058480e-04] [-9.11508131e-04 -5.25774919e-04 3.63058480e-04] [ 9.11508130e-04 5.25774921e-04 3.63058482e-04] [ 8.32331894e-04 1.51832190e-03 -3.49583813e-03] [ 8.32331893e-04 -1.51832189e-03 3.49583813e-03] [-8.32331893e-04 -1.51832190e-03 -3.49583813e-03] [-8.32331893e-04 1.51832189e-03 3.49583813e-03] [ 9.77610682e-04 2.22331391e-04 4.73372423e-03] [-9.77610683e-04 2.22331393e-04 -4.73372423e-03] [ 9.77610683e-04 -2.22331392e-04 -4.73372423e-03] [-9.77610682e-04 -2.22331391e-04 4.73372423e-03] [ 2.24078012e-03 -2.44901794e-03 -7.63712190e-04] [-2.24078012e-03 2.44901794e-03 -7.63712192e-04] [-2.24078012e-03 -2.44901794e-03 7.63712191e-04] [ 2.24078012e-03 2.44901794e-03 7.63712190e-04] [ 1.86161291e-05 -1.62204575e-03 1.09725454e-03] [-1.86161289e-05 1.62204574e-03 1.09725454e-03] [-1.86161288e-05 -1.62204574e-03 -1.09725454e-03] [ 1.86161280e-05 1.62204574e-03 -1.09725454e-03]] Final stress: [-4.84868678e-05 -1.43359275e-04 -4.41813379e-05 -4.82880053e-15 1.22333032e-15 -3.50633776e-15] Minimization converged after 51 steps. Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.15385005e-03 -1.47048479e-03 2.96048153e-03] [ 1.15385005e-03 1.47048479e-03 2.96048153e-03] [ 1.15385005e-03 -1.47048480e-03 -2.96048153e-03] [-1.15385005e-03 1.47048480e-03 -2.96048153e-03] [-1.01302927e-03 2.12243703e-03 6.14164075e-04] [ 1.01302927e-03 -2.12243702e-03 6.14164070e-04] [ 1.01302926e-03 2.12243704e-03 -6.14164087e-04] [-1.01302926e-03 -2.12243704e-03 -6.14164079e-04] [ 6.08352985e-05 2.94191270e-03 1.24037723e-03] [ 6.08352947e-05 -2.94191270e-03 -1.24037723e-03] [-6.08352963e-05 -2.94191270e-03 1.24037722e-03] [-6.08352864e-05 2.94191270e-03 -1.24037722e-03] [-2.01491661e-03 4.99758318e-04 -1.19222870e-03] [ 2.01491660e-03 4.99758320e-04 1.19222869e-03] [-2.01491660e-03 -4.99758322e-04 1.19222869e-03] [ 2.01491661e-03 -4.99758319e-04 -1.19222870e-03] [-1.29414005e-04 -2.52024696e-04 8.04948930e-04] [ 1.29414004e-04 2.52024695e-04 8.04948919e-04] [ 1.29414003e-04 -2.52024688e-04 -8.04948916e-04] [-1.29414011e-04 2.52024687e-04 -8.04948919e-04] [ 2.54430668e-03 -1.12587139e-03 -7.55036590e-04] [-2.54430668e-03 1.12587139e-03 -7.55036581e-04] [-2.54430670e-03 -1.12587140e-03 7.55036590e-04] [ 2.54430670e-03 1.12587139e-03 7.55036586e-04]] Final stress: [ 6.48214777e-06 -4.64972984e-05 4.23058653e-05 -5.83432392e-15 4.95456690e-15 1.44181334e-14] Minimization converged after 63 steps. Minimization converged after 101 steps. Minimization converged after 96 steps. Minimization converged after 80 steps. Minimization converged after 79 steps. Minimization converged after 97 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 71 steps. Final forces: [[-0.02001383 0.01592496 0.01369766] [ 0.00776579 -0.01279149 -0.01395747] [ 0.02001382 0.01592497 -0.01369766] [-0.00776579 -0.01279149 0.01395747] [ 0.01264857 0.01129928 0.03374412] [-0.0063451 0.00695943 0.01515476] [-0.01264856 0.01129927 -0.03374411] [ 0.0063451 0.00695944 -0.01515475] [-0.00691726 -0.00789841 -0.0046359 ] [-0.01107642 -0.00876318 -0.02344906] [ 0.01107642 -0.00876318 0.02344905] [ 0.00691726 -0.00789842 0.00463591] [ 0.01039842 -0.0026412 -0.01858457] [-0.01039842 -0.00264119 0.01858457] [-0.02073727 0.01266664 -0.02928846] [ 0.02073727 0.01266664 0.02928846] [ 0.01080202 -0.01649285 -0.0039154 ] [ 0.00580055 0.01424087 -0.01165277] [-0.01080202 -0.01649286 0.0039154 ] [-0.00580055 0.01424089 0.01165276] [ 0.01038095 0.00787005 0.01544541] [ 0.00505529 -0.0203741 0.0042647 ] [-0.01038094 0.00787004 -0.01544541] [-0.00505529 -0.02037411 -0.0042647 ]] Final stress: [ 3.79071817e-03 1.19291810e-02 3.79144613e-03 -9.76553603e-12 2.02346726e-04 -1.34947360e-11] Minimization converged after 100 steps. Minimization converged after 103 steps. Minimization converged after 99 steps. Minimization converged after 83 steps. Minimization converged after 82 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-3.69515627e-04 4.44739143e-05 -7.60036176e-04] [ 3.69515626e-04 -4.44739151e-05 -7.60036175e-04] [ 3.69515627e-04 4.44739149e-05 7.60036175e-04] [-3.69515627e-04 -4.44739143e-05 7.60036176e-04] [-3.87817921e-03 -5.53302858e-04 6.02649594e-04] [ 3.87817921e-03 5.53302856e-04 6.02649598e-04] [ 3.87817921e-03 -5.53302859e-04 -6.02649593e-04] [-3.87817922e-03 5.53302859e-04 -6.02649595e-04] [ 1.15037434e-03 -4.41323732e-04 1.69797759e-03] [ 1.15037433e-03 4.41323736e-04 -1.69797758e-03] [-1.15037433e-03 4.41323734e-04 1.69797758e-03] [-1.15037433e-03 -4.41323734e-04 -1.69797758e-03] [ 3.30351340e-03 -1.38414556e-03 -1.47849785e-03] [-3.30351340e-03 -1.38414556e-03 1.47849785e-03] [ 3.30351340e-03 1.38414556e-03 1.47849785e-03] [-3.30351340e-03 1.38414556e-03 -1.47849785e-03] [ 1.09475458e-03 -2.61786473e-03 2.06800827e-03] [-1.09475459e-03 2.61786473e-03 2.06800827e-03] [-1.09475458e-03 -2.61786473e-03 -2.06800827e-03] [ 1.09475458e-03 2.61786473e-03 -2.06800828e-03] [-9.39632423e-04 -2.51635173e-04 2.78807809e-03] [ 9.39632424e-04 2.51635171e-04 2.78807809e-03] [ 9.39632425e-04 -2.51635173e-04 -2.78807810e-03] [-9.39632424e-04 2.51635172e-04 -2.78807809e-03]] Final stress: [ 4.94743468e-05 4.18052142e-05 1.47787141e-04 -4.16835478e-16 -1.75236202e-15 -5.45864790e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 7.20603880e-04 8.14220677e-05 1.35110852e-03] [-7.20603880e-04 -8.14220680e-05 1.35110852e-03] [-7.20603879e-04 8.14220677e-05 -1.35110852e-03] [ 7.20603880e-04 -8.14220677e-05 -1.35110852e-03] [ 4.73370998e-03 9.77581269e-04 2.22293339e-04] [-4.73370998e-03 -9.77581271e-04 2.22293341e-04] [-4.73370998e-03 9.77581271e-04 -2.22293341e-04] [ 4.73370998e-03 -9.77581271e-04 -2.22293340e-04] [-3.63063332e-04 9.11501239e-04 -5.25749632e-04] [-3.63063332e-04 -9.11501240e-04 5.25749631e-04] [ 3.63063332e-04 -9.11501240e-04 -5.25749632e-04] [ 3.63063333e-04 9.11501239e-04 5.25749633e-04] [-3.49583213e-03 8.32322365e-04 1.51831556e-03] [ 3.49583213e-03 8.32322363e-04 -1.51831556e-03] [-3.49583213e-03 -8.32322364e-04 -1.51831556e-03] [ 3.49583213e-03 -8.32322364e-04 1.51831556e-03] [-7.63730656e-04 2.24080601e-03 -2.44905396e-03] [ 7.63730656e-04 -2.24080601e-03 -2.44905396e-03] [ 7.63730657e-04 2.24080601e-03 2.44905396e-03] [-7.63730658e-04 -2.24080601e-03 2.44905396e-03] [ 1.09729833e-03 1.86197872e-05 -1.62201550e-03] [-1.09729833e-03 -1.86197860e-05 -1.62201549e-03] [-1.09729833e-03 1.86197869e-05 1.62201549e-03] [ 1.09729833e-03 -1.86197847e-05 1.62201549e-03]] Final stress: [-4.41824775e-05 -4.84879912e-05 -1.43360970e-04 -4.70964805e-17 -1.62571315e-15 2.93210621e-15] Minimization converged after 101 steps. Minimization converged after 100 steps. Minimization converged after 81 steps. Minimization converged after 80 steps. Minimization converged after 102 steps. Minimization converged after 94 steps. Minimization converged after 79 steps. Minimization converged after 80 steps. Minimization converged after 103 steps. Minimization converged after 100 steps. Minimization converged after 98 steps. Minimization converged after 97 steps. Minimization converged after 104 steps. Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-4.88206700e-04 -1.47103922e-04 -6.55579054e-06] [ 1.62602739e-04 -1.76001038e-04 2.57028832e-04] [ 4.95056409e-04 -1.64614384e-04 -2.34341818e-04] [-5.65547562e-04 1.10665317e-04 -2.22132310e-04] [ 5.66623775e-04 -4.25248977e-04 6.38258775e-04] [-8.68935921e-04 1.80228665e-05 3.58770115e-04] [ 1.64042247e-04 -7.30461150e-04 5.05195500e-05] [-4.56433665e-04 2.02234994e-03 5.57476869e-04] [ 2.08024828e-04 2.93210197e-05 -4.46151396e-04] [ 3.43959324e-04 -6.71161424e-04 -6.24394416e-04] [ 1.54446867e-04 -1.27843052e-04 8.74457445e-06] [ 2.40733179e-04 1.81204447e-04 6.40973595e-04] [ 7.39018072e-05 8.44172944e-04 1.45715738e-07] [-3.74446606e-04 -2.84268463e-04 -6.83945230e-04] [ 4.66738181e-04 3.31199915e-04 -5.22431996e-04] [ 7.31875637e-04 -2.20174559e-05 -1.60361072e-04] [-7.03566500e-04 -1.06584904e-03 -5.91291737e-04] [ 7.88442251e-04 4.02123143e-04 -5.64747631e-04] [-9.66074873e-05 -6.92866515e-05 9.81133014e-04] [-5.30392838e-04 2.37830509e-04 1.75668572e-04] [-5.85367027e-04 -8.76076070e-04 -6.09778947e-04] [ 5.17356617e-04 4.82807410e-04 -3.93605968e-04] [ 2.41473423e-04 7.27422394e-05 8.65709950e-04] [-4.85772981e-04 2.74918794e-05 5.25308747e-04]] Final stress: [ 3.87004766e-05 2.88170410e-05 2.06131178e-05 1.21872249e-04 1.21966137e-04 -3.72163604e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-1.74379387e-03 -3.06458404e-04 6.22483359e-04] [ 1.43914683e-03 6.30068722e-04 7.34666715e-04] [ 1.05607510e-03 -1.40333618e-04 -5.89616599e-05] [-1.05849766e-03 5.39517903e-05 -4.08173605e-04] [-1.15926944e-03 -4.61606392e-03 -1.27893813e-03] [ 7.69326676e-04 3.74780709e-03 -4.51125054e-04] [-2.20056327e-03 -7.54884577e-04 -1.32071815e-03] [ 2.15431817e-03 6.51914137e-04 -1.59329509e-03] [ 2.02926532e-04 1.16881716e-03 3.39691176e-04] [-7.29764284e-05 7.61382747e-05 6.92643870e-04] [ 7.07352839e-08 -1.32676975e-03 -3.90914332e-04] [-2.57205555e-04 4.78806908e-04 6.25361909e-04] [ 1.45574006e-03 -5.94822400e-04 2.24036757e-03] [ 1.40602098e-03 1.18347128e-03 9.60110797e-05] [-7.09451679e-04 -1.52884549e-03 3.79468693e-04] [-1.13598036e-03 1.33634672e-03 1.60234218e-03] [-8.76875546e-04 -2.84840965e-04 -1.69227068e-03] [ 4.51246567e-04 4.77827658e-04 -1.99653169e-03] [ 2.35731217e-03 -2.28537776e-03 1.96684144e-03] [-2.07323931e-03 2.10560367e-03 1.31646822e-03] [-9.51912596e-04 -1.98692770e-04 -2.02083158e-03] [ 1.14495531e-03 -2.97782149e-04 -2.25755237e-03] [ 1.54362596e-03 -1.77021006e-03 1.02372607e-03] [-1.74099938e-03 2.19432845e-03 1.82924005e-03]] Final stress: [ 1.16216125e-04 8.76899260e-05 6.35228998e-05 1.21829909e-04 -1.22264924e-04 1.13072587e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 34 steps. Final forces: [[-2.37929206e-04 -8.80818171e-05 1.67221923e-04] [ 2.93692314e-04 1.68607248e-05 1.31391571e-04] [ 1.77845294e-04 7.34662945e-06 -8.69007265e-05] [-1.58186551e-04 1.58806876e-06 -2.94095156e-05] [-2.12761611e-04 -7.95359448e-04 -1.95584847e-04] [ 3.04954084e-04 9.60690088e-04 -3.46206408e-04] [-3.85027064e-04 -1.33542942e-04 -3.01243369e-04] [ 3.99058252e-04 1.11223111e-04 -2.08781491e-04] [ 5.53777935e-06 2.51063099e-04 -6.97749299e-05] [-3.79054840e-05 -3.77377816e-05 1.85099813e-04] [-1.68652491e-05 -2.47138734e-04 9.42647516e-05] [ 7.13169427e-05 -6.41443748e-05 2.11416253e-04] [ 2.44847573e-04 -2.79484797e-04 2.95986571e-04] [ 1.85851048e-04 2.57695880e-04 9.77132321e-05] [-3.00470937e-04 -1.72833733e-04 6.68144238e-05] [-2.92655370e-04 1.21465903e-04 4.19507306e-04] [-5.97662275e-05 -8.92785250e-05 -3.63631003e-04] [ 1.32408080e-04 6.16808851e-05 -3.09644600e-04] [ 4.73436521e-04 -3.50603471e-04 2.68200194e-04] [-5.33049775e-04 4.00974114e-04 4.02270236e-04] [-2.27524968e-04 7.54307108e-05 -5.05705565e-04] [ 1.64252920e-04 6.31321939e-05 -4.36675453e-04] [ 3.09713829e-04 -5.00552250e-04 3.45756587e-04] [-3.00772194e-04 4.29606465e-04 1.67915048e-04]] Final stress: [ 2.02410990e-05 1.53899894e-05 1.04474431e-05 -1.22915895e-04 1.22973772e-04 2.26888725e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-1.11981734e-03 -4.16990955e-04 -2.10231426e-04] [ 5.41437352e-04 -2.02036473e-04 4.98535106e-04] [ 1.24916797e-03 -3.22687103e-04 -3.89759640e-04] [-1.13389167e-03 4.35261079e-04 -4.46649371e-04] [ 1.63761799e-03 -4.57389991e-04 1.17626561e-03] [-1.35276638e-03 6.64610227e-04 8.34936340e-04] [ 6.90300193e-04 -3.10668543e-03 6.58446763e-04] [-3.71349094e-04 2.41447823e-03 1.58917084e-04] [ 4.67463142e-04 4.91648281e-04 -2.73350579e-04] [ 1.60174189e-05 -8.04381535e-04 4.19955037e-04] [ 1.63959919e-04 2.37262631e-06 -4.50792675e-04] [-2.07662217e-04 8.86697202e-04 -3.19317092e-04] [-8.46872932e-04 1.05912132e-03 1.10222934e-05] [-8.77213819e-04 -3.97885757e-04 -1.44739876e-03] [ 8.11722283e-04 7.73009238e-04 -1.15240309e-03] [ 3.99055058e-04 -8.33206188e-04 -2.37546576e-04] [-1.64966431e-03 -1.45926989e-03 -1.09809412e-03] [ 1.17204002e-03 1.59487128e-03 -1.07087453e-03] [ 5.86546430e-04 -5.96026349e-04 9.20563600e-04] [-4.53143102e-04 3.70862441e-05 1.65452002e-03] [-8.42612208e-04 -1.01032118e-03 -6.10223531e-04] [ 1.34871683e-03 1.44046242e-03 -1.38322784e-03] [ 6.32008080e-04 -5.92891688e-05 1.41340430e-03] [-8.61059631e-04 -1.33448126e-04 1.34330308e-03]] Final stress: [ 8.41235902e-05 6.29417363e-05 4.60481472e-05 -1.20371089e-04 -1.20631293e-04 -7.64159117e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[-4.07530887e-05 1.14323279e-04 -3.95790692e-04] [ 9.12746237e-05 -1.61730243e-04 -5.79716951e-04] [ 5.39582865e-05 1.22032879e-05 3.71142546e-04] [-2.11308141e-04 -2.07657602e-04 4.80682555e-04] [ 8.88840458e-06 -2.20150302e-04 2.70486325e-06] [-3.65491357e-04 -8.82991838e-05 7.40217935e-05] [-1.89339455e-04 -2.04968259e-04 -6.41611823e-05] [ 4.12765513e-04 1.30258614e-04 -6.11031377e-05] [ 4.33742484e-04 -1.15468918e-04 -1.94237005e-04] [-3.41480931e-04 -4.53671105e-04 -3.33493161e-04] [ 1.29809782e-04 -6.51485588e-04 4.05778613e-04] [-3.37371399e-04 -2.62000726e-05 3.86031184e-04] [-2.71873689e-04 4.86408015e-04 6.24141555e-04] [ 2.81227492e-04 3.74833848e-04 -6.48529071e-04] [-1.12676275e-03 9.79195366e-05 1.82137859e-04] [ 1.36380554e-03 2.96097422e-04 -3.02428995e-04] [-6.05751140e-04 -3.80617414e-04 -6.11160555e-04] [ 1.49025475e-04 5.22479076e-04 -2.67242426e-04] [ 6.79496004e-04 -5.57538867e-04 7.03242508e-04] [-1.81701296e-04 5.94589215e-04 1.77207312e-04] [-6.03333882e-04 -5.23927959e-04 -4.92271010e-04] [ 6.25151590e-05 6.12446488e-04 -3.00029545e-04] [ 5.26797425e-04 -3.16816285e-04 4.64282126e-04] [ 8.18609361e-05 6.66973018e-04 3.78790816e-04]] Final stress: [ 2.79270794e-05 2.00745683e-05 3.75899566e-05 1.22805949e-04 -3.39245547e-06 1.22712490e-04] Minimization converged after 152 steps. Minimization converged after 155 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 34 steps. Final forces: [[-4.03403468e-05 3.26056539e-04 -1.90253853e-03] [ 9.46811487e-04 -1.61425476e-03 -2.67307027e-03] [-3.04301480e-04 1.18464890e-03 1.62722208e-03] [-4.36909607e-04 -1.49047001e-03 3.30276919e-03] [ 5.86340605e-04 -2.01498285e-03 -9.76801661e-05] [-2.75922409e-03 8.91043341e-04 -4.41673574e-05] [ 6.97919503e-04 -2.38228536e-03 8.91716198e-04] [ 2.74275011e-03 -9.15346249e-04 -7.06917362e-04] [ 1.97107441e-03 -6.02601952e-04 -3.45553088e-03] [-9.94340644e-04 -4.68752075e-03 -3.10559704e-03] [ 2.78709148e-03 -3.23689145e-03 2.39646605e-03] [-2.92385797e-03 -1.00459442e-03 2.05070193e-03] [-1.49556692e-03 2.50632941e-03 4.43395817e-03] [ 1.51985727e-03 3.12234328e-03 -4.30202051e-03] [-1.06624839e-02 3.81119902e-03 3.29696255e-03] [ 8.64655524e-03 1.63118883e-03 -2.08863942e-03] [-4.64990551e-03 -4.71083536e-03 -5.91913060e-03] [ 1.40628773e-03 4.11208332e-03 -7.41813609e-04] [ 3.87168088e-03 -2.92164669e-03 5.40240578e-03] [-6.05518643e-04 3.80388580e-03 1.63853567e-03] [-4.60656562e-03 -1.99419908e-03 -3.20966684e-03] [-8.26429924e-04 5.40091332e-03 -2.53062063e-03] [ 5.60996183e-03 -3.96884917e-03 3.61976480e-03] [-4.80885856e-04 4.75478635e-03 2.11689079e-03]] Final stress: [ 1.81061603e-04 1.27489159e-04 2.37989669e-04 -1.22512813e-04 -2.49691849e-05 -1.21123684e-04] Minimization converged after 106 steps. Minimization converged after 106 steps. Minimization converged after 156 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[ 1.26759567e-03 -1.82424007e-03 -5.96973227e-04] [-6.88927353e-04 1.28602631e-03 -3.83411005e-07] [-5.74587362e-04 -1.00432255e-03 -3.64165258e-04] [ 1.28271618e-03 2.38826006e-03 2.56964977e-04] [ 2.53982217e-03 1.43617915e-03 -2.56254140e-03] [ 6.10839847e-04 1.37735740e-03 2.23768068e-03] [ 7.26223062e-04 -2.99258224e-03 -1.39363476e-03] [ 3.60627070e-03 -2.98715350e-03 7.64294118e-04] [-1.45023953e-03 -1.59176975e-03 -6.08336223e-03] [-3.48251099e-03 3.04555143e-03 9.03913116e-03] [-2.49583479e-03 -3.23155881e-03 -8.59001986e-04] [-1.84139319e-03 3.55009847e-03 9.29017832e-04] [-8.47883576e-04 -1.10319721e-04 1.77308930e-03] [ 1.17016101e-03 -1.10636675e-04 -3.49887601e-04] [ 9.98747786e-04 -3.56919538e-04 -2.38975495e-03] [ 2.29951814e-03 9.62513359e-04 -7.51378923e-04] [-3.22909067e-03 -5.22319246e-04 -6.64820225e-04] [ 2.79577353e-03 4.39315939e-03 -3.24628547e-03] [ 3.30539966e-03 -4.52437072e-03 3.15143325e-03] [-2.57032822e-03 1.01870458e-03 7.04703836e-04] [-4.77732045e-03 -1.58271859e-03 7.61401633e-04] [ 2.81584608e-03 2.35076377e-03 -4.60570606e-03] [ 1.81432198e-03 -2.89312288e-03 3.72656421e-03] [-3.27511967e-03 1.92342036e-03 5.23614513e-04]] Final stress: [ 9.04171816e-05 1.69937134e-04 1.30508180e-04 1.92408580e-05 -1.21920539e-04 1.22782139e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 35 steps. Final forces: [[ 1.35838627e-03 7.47850329e-05 1.25880771e-03] [-7.58010277e-04 2.14258602e-03 1.94472100e-04] [-1.08773486e-03 -1.30119925e-03 7.40996746e-04] [ 9.43867320e-04 1.33385776e-03 -9.51228996e-05] [ 5.64748065e-05 -1.40981279e-03 1.03455707e-03] [-2.63640705e-03 -2.12433022e-03 4.73856909e-04] [-1.51463559e-03 7.15736605e-04 1.44927900e-03] [-3.45088185e-04 3.13908374e-04 -1.66095827e-03] [ 1.86687110e-03 2.94238324e-03 -2.19692532e-04] [ 3.04098568e-03 -3.44000218e-03 -6.63296825e-04] [ 1.92777146e-03 1.27461427e-03 -5.86969450e-03] [ 4.77096938e-04 -1.11493576e-03 4.38468507e-03] [-4.30884318e-04 2.74722194e-04 6.99806997e-04] [ 1.97753532e-04 9.40092469e-04 -1.95708473e-03] [-5.71690686e-04 1.74904903e-04 -3.68142712e-04] [-2.94121959e-04 -6.35331590e-04 1.22043333e-03] [-3.36407544e-03 -3.31178054e-03 -2.41861500e-03] [ 1.41050085e-03 9.97575859e-04 -1.30369350e-03] [ 2.14395556e-03 1.25830854e-05 1.71571194e-03] [-2.17131227e-03 3.01468073e-03 2.42609162e-03] [-1.62330984e-03 -1.68764912e-03 -2.96923622e-03] [ 2.04572274e-03 1.61649869e-03 2.92875082e-04] [ 2.19661794e-03 -2.41587280e-03 -1.33655411e-03] [-2.86873371e-03 1.61198502e-03 2.97051772e-03]] Final stress: [ 7.96550214e-05 1.46765723e-04 1.07147945e-04 -1.53785039e-05 -1.24897291e-04 -1.25680710e-04] Minimization converged after 105 steps. Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00036587 -0.00014283 0.00013618] [ 0.00036587 0.00014283 0.00013618] [ 0.00036587 -0.00014283 -0.00013618] [-0.00036587 0.00014283 -0.00013618] [-0.0008203 0.00177371 -0.00060461] [ 0.0008203 -0.00177371 -0.00060461] [ 0.0008203 0.00177371 0.00060461] [-0.0008203 -0.00177371 0.00060461] [ 0.00023271 -0.00219294 -0.00030458] [ 0.00023271 0.00219294 0.00030458] [-0.00023271 0.00219294 -0.00030458] [-0.00023271 -0.00219294 0.00030458] [ 0.00071698 0.00051666 -0.00027453] [-0.00071698 0.00051666 0.00027453] [ 0.00071698 -0.00051666 0.00027453] [-0.00071698 -0.00051666 -0.00027453] [ 0.00112745 0.00054006 -0.00134859] [-0.00112745 -0.00054006 -0.00134859] [-0.00112745 0.00054006 0.00134859] [ 0.00112745 -0.00054006 0.00134859] [ 0.00123682 -0.00060908 -0.00012445] [-0.00123682 0.00060908 -0.00012445] [-0.00123682 -0.00060908 0.00012445] [ 0.00123682 0.00060908 0.00012445]] Final stress: [1.00119263e-04 3.10466688e-05 2.85678657e-05 4.71603070e-17 6.31628191e-15 4.18464157e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.0223526 0.02438583 0.02692147] [-0.0223526 -0.02438583 0.02692147] [-0.0223526 0.02438583 -0.02692147] [ 0.0223526 -0.02438583 -0.02692147] [-0.00529693 -0.02627275 0.028275 ] [ 0.00529693 0.02627275 0.028275 ] [ 0.00529693 -0.02627275 -0.028275 ] [-0.00529693 0.02627275 -0.028275 ] [ 0.00389223 0.00963872 0.01023078] [ 0.00389223 -0.00963872 -0.01023078] [-0.00389223 -0.00963872 0.01023078] [-0.00389223 0.00963872 -0.01023078] [-0.01645809 0.00667589 -0.00189799] [ 0.01645809 0.00667589 0.00189799] [-0.01645809 -0.00667589 0.00189799] [ 0.01645809 -0.00667589 -0.00189799] [-0.01641048 -0.00038157 0.01027714] [ 0.01641048 0.00038157 0.01027714] [ 0.01641048 -0.00038157 -0.01027714] [-0.01641048 0.00038157 -0.01027714] [-0.02048335 -0.00988059 0.01241733] [ 0.02048335 0.00988059 0.01241733] [ 0.02048335 -0.00988059 -0.01241733] [-0.02048335 0.00988059 -0.01241733]] Final stress: [ 6.35226821e-04 2.92791109e-04 2.75749262e-04 -3.96926864e-14 -6.73576704e-14 -6.50473089e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 7.86389484e-05 1.60791039e-04 -3.66909362e-05] [-7.86389486e-05 -1.60791039e-04 -3.66909360e-05] [-7.86389443e-05 1.60791035e-04 3.66909398e-05] [ 7.86389480e-05 -1.60791039e-04 3.66909361e-05] [-3.18492584e-06 8.21367290e-04 -1.36577381e-04] [ 3.18492795e-06 -8.21367287e-04 -1.36577380e-04] [ 3.18492290e-06 8.21367295e-04 1.36577378e-04] [-3.18492281e-06 -8.21367294e-04 1.36577378e-04] [-1.09867786e-04 -1.58577995e-04 2.03624536e-04] [-1.09867790e-04 1.58577998e-04 -2.03624532e-04] [ 1.09867785e-04 1.58577995e-04 2.03624535e-04] [ 1.09867792e-04 -1.58577996e-04 -2.03624532e-04] [-2.47800507e-04 5.43432847e-04 -4.16493458e-04] [ 2.47800509e-04 5.43432841e-04 4.16493461e-04] [-2.47800507e-04 -5.43432844e-04 4.16493459e-04] [ 2.47800514e-04 -5.43432840e-04 -4.16493463e-04] [ 6.96840320e-06 5.93446969e-04 -6.28909208e-04] [-6.96840352e-06 -5.93446967e-04 -6.28909209e-04] [-6.96840325e-06 5.93446969e-04 6.28909208e-04] [ 6.96839656e-06 -5.93446974e-04 6.28909207e-04] [ 7.81684556e-05 2.73019418e-04 -5.16719074e-04] [-7.81684599e-05 -2.73019422e-04 -5.16719077e-04] [-7.81684678e-05 2.73019416e-04 5.16719072e-04] [ 7.81684632e-05 -2.73019415e-04 5.16719075e-04]] Final stress: [ 8.29224454e-05 8.24403491e-05 4.29380449e-05 5.55263250e-15 -1.74777181e-15 1.36600605e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 1.39691447e-03 -2.47934410e-03 1.21059252e-03] [-1.39691447e-03 2.47934410e-03 1.21059252e-03] [-1.39691447e-03 -2.47934410e-03 -1.21059252e-03] [ 1.39691447e-03 2.47934410e-03 -1.21059252e-03] [-1.87810408e-03 1.70371011e-04 8.60952224e-04] [ 1.87810409e-03 -1.70370998e-04 8.60952216e-04] [ 1.87810409e-03 1.70370999e-04 -8.60952217e-04] [-1.87810409e-03 -1.70370997e-04 -8.60952216e-04] [-8.72834247e-05 1.12981174e-03 2.02621556e-03] [-8.72834043e-05 -1.12981174e-03 -2.02621557e-03] [ 8.72834172e-05 -1.12981174e-03 2.02621557e-03] [ 8.72834198e-05 1.12981174e-03 -2.02621556e-03] [-1.76535969e-03 -4.15279975e-04 1.00793368e-03] [ 1.76535970e-03 -4.15279978e-04 -1.00793368e-03] [-1.76535970e-03 4.15279982e-04 -1.00793368e-03] [ 1.76535970e-03 4.15279984e-04 1.00793367e-03] [ 7.51611583e-04 -1.26979263e-03 6.93980285e-04] [-7.51611571e-04 1.26979263e-03 6.93980286e-04] [-7.51611596e-04 -1.26979264e-03 -6.93980284e-04] [ 7.51611571e-04 1.26979263e-03 -6.93980286e-04] [ 8.24458230e-04 1.57505419e-03 -2.20361496e-03] [-8.24458243e-04 -1.57505419e-03 -2.20361496e-03] [-8.24458225e-04 1.57505419e-03 2.20361497e-03] [ 8.24458227e-04 -1.57505419e-03 2.20361496e-03]] Final stress: [ 1.72702241e-05 -1.94025524e-05 1.75053706e-06 9.72063557e-15 -1.52817949e-14 -1.59210082e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-7.46388553e-04 1.43240860e-03 -5.12461164e-04] [ 7.46388546e-04 -1.43240861e-03 -5.12461156e-04] [ 7.46388552e-04 1.43240860e-03 5.12461161e-04] [-7.46388553e-04 -1.43240860e-03 5.12461164e-04] [ 1.35765160e-03 5.83020277e-04 3.87136586e-05] [-1.35765159e-03 -5.83020257e-04 3.87136541e-05] [-1.35765160e-03 5.83020279e-04 -3.87136584e-05] [ 1.35765160e-03 -5.83020271e-04 -3.87136550e-05] [ 2.49640944e-04 -5.96205047e-04 -9.25085822e-04] [ 2.49640939e-04 5.96205054e-04 9.25085833e-04] [-2.49640929e-04 5.96205064e-04 -9.25085845e-04] [-2.49640928e-04 -5.96205059e-04 9.25085842e-04] [ 1.02364760e-03 2.87689138e-04 -3.88640871e-04] [-1.02364759e-03 2.87689133e-04 3.88640879e-04] [ 1.02364758e-03 -2.87689113e-04 3.88640888e-04] [-1.02364759e-03 -2.87689126e-04 -3.88640883e-04] [-6.68424667e-05 3.34169772e-04 -1.20802486e-05] [ 6.68424679e-05 -3.34169792e-04 -1.20802630e-05] [ 6.68424632e-05 3.34169786e-04 1.20802557e-05] [-6.68424842e-05 -3.34169802e-04 1.20802477e-05] [-4.46596327e-04 -3.00417615e-04 1.04922745e-03] [ 4.46596319e-04 3.00417616e-04 1.04922744e-03] [ 4.46596321e-04 -3.00417638e-04 -1.04922746e-03] [-4.46596324e-04 3.00417608e-04 -1.04922744e-03]] Final stress: [-3.58067757e-05 3.28274754e-05 2.74181080e-06 -1.44469211e-14 2.72875749e-16 2.16850958e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-6.20774132e-05 -1.38567023e-04 6.04288018e-05] [ 6.20774140e-05 1.38567023e-04 6.04288012e-05] [ 6.20774096e-05 -1.38567019e-04 -6.04288051e-05] [-6.20774120e-05 1.38567022e-04 -6.04288021e-05] [ 5.95986658e-05 -7.24654800e-04 1.98147795e-04] [-5.95986664e-05 7.24654799e-04 1.98147796e-04] [-5.95986623e-05 -7.24654805e-04 -1.98147793e-04] [ 5.95986604e-05 7.24654808e-04 -1.98147788e-04] [ 2.20516403e-04 2.12213596e-04 -1.08116001e-04] [ 2.20516411e-04 -2.12213601e-04 1.08115994e-04] [-2.20516400e-04 -2.12213594e-04 -1.08116005e-04] [-2.20516405e-04 2.12213595e-04 1.08116003e-04] [ 2.63403114e-04 -5.21686478e-04 4.20126243e-04] [-2.63403110e-04 -5.21686477e-04 -4.20126242e-04] [ 2.63403113e-04 5.21686476e-04 -4.20126244e-04] [-2.63403116e-04 5.21686475e-04 4.20126245e-04] [ 9.96788011e-05 -6.12461615e-04 6.17010436e-04] [-9.96788048e-05 6.12461613e-04 6.17010430e-04] [-9.96788082e-05 -6.12461616e-04 -6.17010430e-04] [ 9.96788054e-05 6.12461619e-04 -6.17010436e-04] [-6.14379209e-05 -2.33665447e-04 5.71514761e-04] [ 6.14379228e-05 2.33665451e-04 5.71514771e-04] [ 6.14379312e-05 -2.33665445e-04 -5.71514763e-04] [-6.14379314e-05 2.33665443e-04 -5.71514764e-04]] Final stress: [-8.22454908e-05 -8.27300339e-05 -4.25903325e-05 -7.54256134e-15 5.39251449e-15 -1.32003062e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 1.67187323e-04 -3.28682751e-05 8.40882679e-05] [-1.67187322e-04 3.28682755e-05 8.40882677e-05] [-1.67187324e-04 -3.28682740e-05 -8.40882689e-05] [ 1.67187322e-04 3.28682754e-05 -8.40882676e-05] [-1.54845283e-04 2.05731259e-04 -1.08969452e-04] [ 1.54845280e-04 -2.05731263e-04 -1.08969448e-04] [ 1.54845285e-04 2.05731257e-04 1.08969454e-04] [-1.54845280e-04 -2.05731265e-04 1.08969448e-04] [ 5.45512762e-04 -4.13393627e-04 -2.47365376e-04] [ 5.45512759e-04 4.13393629e-04 2.47365380e-04] [-5.45512756e-04 4.13393630e-04 -2.47365382e-04] [-5.45512765e-04 -4.13393625e-04 2.47365374e-04] [ 8.22542781e-04 -1.40149548e-04 -2.58180220e-06] [-8.22542779e-04 -1.40149550e-04 2.58180317e-06] [ 8.22542782e-04 1.40149549e-04 2.58180205e-06] [-8.22542786e-04 1.40149547e-04 -2.58180018e-06] [ 5.90473940e-04 -6.29316214e-04 5.08128154e-06] [-5.90473949e-04 6.29316218e-04 5.08128205e-06] [-5.90473942e-04 -6.29316215e-04 -5.08128248e-06] [ 5.90473950e-04 6.29316215e-04 -5.08128213e-06] [ 2.68850718e-04 -5.19493026e-04 7.36622263e-05] [-2.68850717e-04 5.19493028e-04 7.36622219e-05] [-2.68850713e-04 -5.19493027e-04 -7.36622255e-05] [ 2.68850713e-04 5.19493027e-04 -7.36622217e-05]] Final stress: [8.24384841e-05 4.28762458e-05 8.29226044e-05 4.42553747e-15 4.78167001e-15 1.33267001e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00648712 -0.00286015 -0.00297465] [-0.00648712 0.00286015 -0.00297465] [-0.00648712 -0.00286015 0.00297465] [ 0.00648712 0.00286015 0.00297465] [-0.00343401 -0.00626113 -0.0002712 ] [ 0.00343401 0.00626113 -0.0002712 ] [ 0.00343401 -0.00626113 0.0002712 ] [-0.00343401 0.00626113 0.0002712 ] [ 0.0027092 -0.00147099 0.00656281] [ 0.0027092 0.00147099 -0.00656281] [-0.0027092 0.00147099 0.00656281] [-0.0027092 -0.00147099 -0.00656281] [ 0.00156487 -0.0005383 0.00605739] [-0.00156487 -0.0005383 -0.00605739] [ 0.00156487 0.0005383 -0.00605739] [-0.00156487 0.0005383 0.00605739] [ 0.00283705 0.00026917 -0.00244364] [-0.00283705 -0.00026917 -0.00244364] [-0.00283705 0.00026917 0.00244364] [ 0.00283705 -0.00026917 0.00244364] [-0.00244501 0.00506952 -0.00159298] [ 0.00244501 -0.00506952 -0.00159298] [ 0.00244501 0.00506952 0.00159297] [-0.00244501 -0.00506952 0.00159298]] Final stress: [-2.08520507e-05 1.25329612e-05 1.90423937e-05 1.88056200e-15 6.33406781e-14 -1.74124008e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-2.47708526e-03 1.20928894e-03 1.39614193e-03] [ 2.47708526e-03 -1.20928894e-03 1.39614193e-03] [ 2.47708526e-03 1.20928894e-03 -1.39614193e-03] [-2.47708526e-03 -1.20928894e-03 -1.39614193e-03] [ 1.13342856e-03 2.02948480e-03 -7.65744883e-05] [-1.13342857e-03 -2.02948480e-03 -7.65744790e-05] [-1.13342857e-03 2.02948481e-03 7.65744804e-05] [ 1.13342857e-03 -2.02948480e-03 7.65744877e-05] [-4.23644903e-04 9.98689986e-04 -1.77342050e-03] [-4.23644912e-04 -9.98689980e-04 1.77342052e-03] [ 4.23644909e-04 -9.98689979e-04 -1.77342052e-03] [ 4.23644917e-04 9.98689975e-04 1.77342052e-03] [ 1.75372273e-04 8.59073572e-04 -1.87235946e-03] [-1.75372260e-04 8.59073564e-04 1.87235947e-03] [ 1.75372268e-04 -8.59073567e-04 1.87235947e-03] [-1.75372267e-04 -8.59073569e-04 -1.87235947e-03] [-1.27297885e-03 6.85557655e-04 7.63543744e-04] [ 1.27297884e-03 -6.85557656e-04 7.63543730e-04] [ 1.27297885e-03 6.85557661e-04 -7.63543736e-04] [-1.27297886e-03 -6.85557660e-04 -7.63543751e-04] [ 1.57159103e-03 -2.19389339e-03 8.18277743e-04] [-1.57159103e-03 2.19389339e-03 8.18277748e-04] [-1.57159104e-03 -2.19389339e-03 -8.18277759e-04] [ 1.57159103e-03 2.19389339e-03 -8.18277751e-04]] Final stress: [-1.95479059e-05 1.75323602e-06 1.74159084e-05 -1.60358475e-14 1.86879413e-16 2.40871143e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.39137723e-04 5.92511891e-05 -6.29367068e-05] [ 1.39137722e-04 -5.92511893e-05 -6.29367066e-05] [ 1.39137720e-04 5.92511919e-05 6.29367045e-05] [-1.39137719e-04 -5.92511925e-05 6.29367036e-05] [ 2.12688465e-04 -1.08667092e-04 2.20339422e-04] [-2.12688463e-04 1.08667093e-04 2.20339420e-04] [-2.12688462e-04 -1.08667096e-04 -2.20339420e-04] [ 2.12688458e-04 1.08667102e-04 -2.20339417e-04] [-5.20947055e-04 4.20279304e-04 2.62756331e-04] [-5.20947046e-04 -4.20279309e-04 -2.62756339e-04] [ 5.20947047e-04 -4.20279309e-04 2.62756339e-04] [ 5.20947051e-04 4.20279306e-04 -2.62756334e-04] [-7.24464826e-04 1.97394233e-04 5.96053809e-05] [ 7.24464828e-04 1.97394234e-04 -5.96053809e-05] [-7.24464830e-04 -1.97394235e-04 -5.96053801e-05] [ 7.24464833e-04 -1.97394229e-04 5.96053777e-05] [-6.12116199e-04 6.17145680e-04 1.00096291e-04] [ 6.12116208e-04 -6.17145679e-04 1.00096292e-04] [ 6.12116197e-04 6.17145672e-04 -1.00096290e-04] [-6.12116206e-04 -6.17145673e-04 -1.00096292e-04] [-2.32168572e-04 5.72010438e-04 -6.11289606e-05] [ 2.32168568e-04 -5.72010441e-04 -6.11289584e-05] [ 2.32168577e-04 5.72010446e-04 6.11289638e-05] [-2.32168574e-04 -5.72010443e-04 6.11289598e-05]] Final stress: [-8.27274001e-05 -4.25900895e-05 -8.22430142e-05 2.44228563e-15 -1.15368025e-14 -1.26455190e-14] Minimization converged after 110 steps. Minimization converged after 104 steps. Minimization converged after 112 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 80 steps. Final forces: [[-0.00668686 -0.00531201 -0.00030034] [ 0.00330452 0.00526126 -0.00475727] [ 0.00330447 -0.00526124 0.00475724] [-0.00668686 0.00531201 0.00030035] [ 0.00298754 0.00097066 0.00974735] [ 0.00467194 -0.00378379 0.00984193] [ 0.00467198 0.00378377 -0.00984191] [ 0.00298754 -0.00097065 -0.00974735] [ 0.00218903 0.00127967 0.00528438] [ 0.00218903 -0.00127967 -0.00528438] [-0.00051693 -0.00187485 0.00253369] [-0.00051697 0.00187486 -0.00253371] [ 0.0065579 -0.00010668 0.00357091] [-0.00564934 0.00036256 -0.00180044] [ 0.0065579 0.00010667 -0.00357092] [-0.00564938 -0.00036259 0.00180045] [-0.00371563 0.00066276 0.00233203] [-0.00277444 -0.00396561 -0.00092146] [-0.00277439 0.00396562 0.00092146] [-0.00371558 -0.00066274 -0.00233203] [ 0.01247117 -0.00667856 0.00472628] [-0.01283891 -0.01168036 0.01119183] [-0.01283887 0.01168036 -0.0111918 ] [ 0.01247113 0.00667856 -0.00472628]] Final stress: [ 1.21324746e-02 3.61859697e-03 3.68717892e-03 -5.31453653e-05 3.81606674e-11 -3.29402371e-11] Minimization converged after 105 steps. Minimization converged after 107 steps. Minimization converged after 81 steps. Minimization converged after 83 steps. Minimization converged after 101 steps. Minimization converged after 104 steps. Minimization converged after 82 steps. Minimization converged after 83 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 0.00013595 -0.00036588 -0.00014298] [-0.00013595 0.00036588 -0.00014298] [-0.00013595 -0.00036588 0.00014298] [ 0.00013595 0.00036588 0.00014298] [-0.00027451 0.00071705 0.00051658] [ 0.00027451 -0.00071705 0.00051658] [ 0.00027451 0.00071705 -0.00051658] [-0.00027451 -0.00071705 -0.00051658] [-0.00060485 -0.00082016 0.0017737 ] [-0.00060485 0.00082016 -0.0017737 ] [ 0.00060485 0.00082016 0.0017737 ] [ 0.00060485 -0.00082016 -0.0017737 ] [-0.00030467 0.0002327 -0.00219268] [ 0.00030467 0.0002327 0.00219268] [-0.00030467 -0.0002327 0.00219268] [ 0.00030467 -0.0002327 -0.00219268] [-0.00134856 0.0011274 0.00053995] [ 0.00134856 -0.0011274 0.00053995] [ 0.00134856 0.0011274 -0.00053995] [-0.00134856 -0.0011274 -0.00053995] [-0.0001245 0.00123697 -0.00060882] [ 0.0001245 -0.00123697 -0.00060882] [ 0.0001245 0.00123697 0.00060882] [-0.0001245 -0.00123697 0.00060882]] Final stress: [ 2.85652750e-05 1.00117562e-04 3.10440740e-05 4.21144361e-15 1.58495104e-15 -1.50467079e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.02697204 0.02238494 0.02442755] [-0.02697204 -0.02238494 0.02442755] [-0.02697204 0.02238494 -0.02442755] [ 0.02697204 -0.02238494 -0.02442755] [-0.00190462 -0.01649417 0.0066957 ] [ 0.00190462 0.01649417 0.0066957 ] [ 0.00190462 -0.01649417 -0.0066957 ] [-0.00190462 0.01649417 -0.0066957 ] [ 0.02833588 -0.00531021 -0.02631973] [ 0.02833588 0.00531021 0.02631973] [-0.02833588 0.00531021 -0.02631973] [-0.02833588 -0.00531021 0.02631973] [ 0.01025497 0.00390113 0.00964792] [-0.01025497 0.00390113 -0.00964792] [ 0.01025497 -0.00390113 -0.00964792] [-0.01025497 -0.00390113 0.00964792] [ 0.01027836 -0.0164338 -0.00038159] [-0.01027836 0.0164338 -0.00038159] [-0.01027836 -0.0164338 0.00038159] [ 0.01027836 0.0164338 0.00038159] [ 0.01244967 -0.02051894 -0.00990911] [-0.01244967 0.02051894 -0.00990911] [-0.01244967 -0.02051894 0.00990911] [ 0.01244967 0.02051894 0.00990911]] Final stress: [ 2.76722046e-04 6.36984535e-04 2.93808196e-04 -8.68110727e-15 1.81513022e-14 2.33479469e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-3.67066362e-05 7.86222773e-05 1.60777152e-04] [ 3.67066380e-05 -7.86222753e-05 1.60777150e-04] [ 3.67066371e-05 7.86222762e-05 -1.60777150e-04] [-3.67066371e-05 -7.86222768e-05 -1.60777151e-04] [-4.16489034e-04 -2.47810672e-04 5.43434708e-04] [ 4.16489032e-04 2.47810669e-04 5.43434709e-04] [ 4.16489035e-04 -2.47810673e-04 -5.43434706e-04] [-4.16489035e-04 2.47810673e-04 -5.43434705e-04] [-1.36563041e-04 -3.17248138e-06 8.21366004e-04] [-1.36563040e-04 3.17248057e-06 -8.21366005e-04] [ 1.36563037e-04 3.17247626e-06 8.21366011e-04] [ 1.36563040e-04 -3.17247932e-06 -8.21366006e-04] [ 2.03607334e-04 -1.09871848e-04 -1.58562516e-04] [-2.03607328e-04 -1.09871855e-04 1.58562520e-04] [ 2.03607335e-04 1.09871847e-04 1.58562515e-04] [-2.03607334e-04 1.09871851e-04 -1.58562516e-04] [-6.28914862e-04 6.97700739e-06 5.93460424e-04] [ 6.28914861e-04 -6.97699983e-06 5.93460426e-04] [ 6.28914863e-04 6.97700244e-06 -5.93460429e-04] [-6.28914863e-04 -6.97700356e-06 -5.93460429e-04] [-5.16722424e-04 7.81752535e-05 2.73031927e-04] [ 5.16722423e-04 -7.81752577e-05 2.73031928e-04] [ 5.16722425e-04 7.81752601e-05 -2.73031927e-04] [-5.16722427e-04 -7.81752516e-05 -2.73031933e-04]] Final stress: [ 4.29387330e-05 8.29227818e-05 8.24406837e-05 9.55976826e-15 -6.39617922e-16 3.05532498e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 1.20933585e-03 1.39619440e-03 -2.47717366e-03] [-1.20933585e-03 -1.39619440e-03 -2.47717366e-03] [-1.20933585e-03 1.39619440e-03 2.47717366e-03] [ 1.20933585e-03 -1.39619440e-03 2.47717366e-03] [ 9.98545074e-04 -1.77376030e-03 -4.23800966e-04] [-9.98545070e-04 1.77376031e-03 -4.23800972e-04] [-9.98545066e-04 -1.77376031e-03 4.23800973e-04] [ 9.98545062e-04 1.77376032e-03 4.23800979e-04] [ 8.59198453e-04 -1.87236612e-03 1.75479846e-04] [ 8.59198442e-04 1.87236613e-03 -1.75479829e-04] [-8.59198446e-04 1.87236613e-03 1.75479839e-04] [-8.59198447e-04 -1.87236613e-03 -1.75479836e-04] [ 2.02975797e-03 -7.65073587e-05 1.13360161e-03] [-2.02975798e-03 -7.65073452e-05 -1.13360161e-03] [ 2.02975798e-03 7.65073477e-05 -1.13360162e-03] [-2.02975797e-03 7.65073585e-05 1.13360161e-03] [ 6.85477629e-04 7.63657010e-04 -1.27300192e-03] [-6.85477634e-04 -7.63657017e-04 -1.27300193e-03] [-6.85477632e-04 7.63656990e-04 1.27300191e-03] [ 6.85477637e-04 -7.63656995e-04 1.27300192e-03] [-2.19364957e-03 8.18018820e-04 1.57162929e-03] [ 2.19364958e-03 -8.18018828e-04 1.57162929e-03] [ 2.19364957e-03 8.18018827e-04 -1.57162929e-03] [-2.19364958e-03 -8.18018837e-04 -1.57162929e-03]] Final stress: [ 1.75343139e-06 1.74174310e-05 -1.95495446e-05 -8.93078583e-16 2.04853463e-14 -2.20845687e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00285925 -0.0029734 0.00648498] [ 0.00285925 0.0029734 0.00648498] [ 0.00285925 -0.0029734 -0.00648498] [-0.00285925 0.0029734 -0.00648498] [-0.00146859 0.00656423 0.00271025] [ 0.00146859 -0.00656423 0.00271025] [ 0.00146859 0.00656423 -0.00271025] [-0.00146859 -0.00656423 -0.00271025] [-0.00053836 0.0060553 0.00156377] [-0.00053836 -0.0060553 -0.00156377] [ 0.00053836 -0.0060553 0.00156377] [ 0.00053836 0.0060553 -0.00156377] [-0.0062611 -0.00027198 -0.00343422] [ 0.0062611 -0.00027198 0.00343422] [-0.0062611 0.00027198 0.00343422] [ 0.0062611 0.00027198 -0.00343422] [ 0.0002714 -0.00244437 0.00283572] [-0.0002714 0.00244437 0.00283572] [-0.0002714 -0.00244437 -0.00283572] [ 0.0002714 0.00244437 -0.00283572] [ 0.00506385 -0.00158926 -0.00244297] [-0.00506385 0.00158926 -0.00244297] [-0.00506385 -0.00158926 0.00244297] [ 0.00506385 0.00158926 0.00244297]] Final stress: [ 1.25323460e-05 1.89874725e-05 -2.08013752e-05 6.47081266e-14 -9.00950311e-15 2.96824541e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 5.66508654e-05 -6.57923959e-05 -1.42032876e-04] [-5.66508675e-05 6.57923937e-05 -1.42032874e-04] [-5.66508634e-05 -6.57923978e-05 1.42032877e-04] [ 5.66508626e-05 6.57923992e-05 1.42032879e-04] [ 4.19321848e-04 2.61920488e-04 -5.20872214e-04] [-4.19321848e-04 -2.61920487e-04 -5.20872213e-04] [-4.19321853e-04 2.61920497e-04 5.20872209e-04] [ 4.19321857e-04 -2.61920503e-04 5.20872205e-04] [ 1.97998540e-04 5.94813394e-05 -7.24564225e-04] [ 1.97998544e-04 -5.94813444e-05 7.24564218e-04] [-1.97998540e-04 -5.94813384e-05 -7.24564226e-04] [-1.97998535e-04 5.94813368e-05 7.24564229e-04] [-1.09865394e-04 2.19980496e-04 2.11921175e-04] [ 1.09865393e-04 2.19980497e-04 -2.11921175e-04] [-1.09865394e-04 -2.19980494e-04 -2.11921174e-04] [ 1.09865396e-04 -2.19980499e-04 2.11921174e-04] [ 6.17446011e-04 1.01364311e-04 -6.10666335e-04] [-6.17446011e-04 -1.01364310e-04 -6.10666334e-04] [-6.17446014e-04 1.01364323e-04 6.10666343e-04] [ 6.17446007e-04 -1.01364318e-04 6.10666336e-04] [ 5.73640649e-04 -5.92044818e-05 -2.29043715e-04] [-5.73640653e-04 5.92044924e-05 -2.29043712e-04] [-5.73640658e-04 -5.92044955e-05 2.29043715e-04] [ 5.73640660e-04 5.92044912e-05 2.29043715e-04]] Final stress: [-4.25669242e-05 -8.22392298e-05 -8.27241961e-05 -4.28494430e-15 -1.25592281e-14 1.41258947e-14] Minimization converged after 100 steps. Minimization converged after 103 steps. Minimization converged after 85 steps. Minimization converged after 83 steps. Minimization converged after 110 steps. Minimization converged after 107 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 80 steps. Final forces: [[-4.06179137e-03 -2.98414870e-03 -4.49472803e-03] [ 8.73345471e-05 6.12317403e-03 -4.78104586e-03] [ 4.06178354e-03 -2.98413875e-03 4.49472109e-03] [-8.73569649e-05 6.12319606e-03 4.78106085e-03] [ 1.57770090e-03 4.97574019e-03 2.66492385e-04] [-3.08049427e-03 -5.87584745e-03 -4.15089345e-04] [-1.57770492e-03 4.97573362e-03 -2.66494407e-04] [ 3.08050221e-03 -5.87586033e-03 4.15079377e-04] [ 8.92523187e-03 -4.28035487e-03 3.31181452e-03] [ 8.98126334e-03 -2.94520745e-03 -9.80376282e-04] [-8.98125904e-03 -2.94518897e-03 9.80363867e-04] [-8.92521878e-03 -4.28037281e-03 -3.31179539e-03] [ 2.16788174e-03 3.06607913e-04 1.75630883e-03] [-2.16789309e-03 3.06624035e-04 -1.75631248e-03] [ 4.75420751e-03 -1.86976937e-03 -1.20136492e-03] [-4.75420786e-03 -1.86977940e-03 1.20136253e-03] [-9.77298686e-04 2.64316966e-03 3.60919313e-03] [-1.84598751e-03 3.41152507e-03 5.41749054e-04] [ 9.77302138e-04 2.64317506e-03 -3.60917974e-03] [ 1.84598768e-03 3.41152308e-03 -5.41760154e-04] [ 1.00210845e-02 1.16463150e-02 1.05315893e-02] [-4.20998959e-03 -1.11511819e-02 -6.30912059e-03] [-1.00210889e-02 1.16462836e-02 -1.05315870e-02] [ 4.21001100e-03 -1.11512173e-02 6.30911921e-03]] Final stress: [ 3.67431814e-03 1.21326094e-02 3.60996471e-03 -2.76914053e-11 5.50976347e-05 3.79370841e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 80 steps. Final forces: [[-0.00016561 -0.00631223 -0.00500748] [ 0.00429322 0.00308497 -0.00477693] [ 0.00016559 -0.00631222 0.00500746] [-0.00429321 0.00308496 0.00477693] [ 0.00322695 0.00611569 -0.00031109] [-0.00166417 -0.005196 0.00032766] [-0.00322694 0.00611567 0.0003111 ] [ 0.00166416 -0.00519599 -0.00032765] [ 0.00926842 0.00294899 0.00099339] [ 0.00927078 0.00447966 -0.00346916] [-0.00927078 0.00447966 0.00346916] [-0.00926841 0.00294897 -0.00099338] [ 0.00497753 0.00201107 0.00123516] [-0.00497754 0.00201108 -0.00123516] [ 0.00229651 -0.00033379 -0.00183034] [-0.00229651 -0.00033379 0.00183034] [ 0.00204147 -0.00357089 0.00061576] [ 0.00098511 -0.00273654 0.00372098] [-0.00204147 -0.00357091 -0.00061576] [-0.00098511 -0.00273652 -0.00372099] [ 0.00440341 0.01164711 -0.00646183] [-0.01048195 -0.01213802 0.01096815] [-0.0044034 0.0116471 0.00646183] [ 0.01048194 -0.01213803 -0.01096815]] Final stress: [ 3.67899662e-03 1.21330359e-02 3.61339547e-03 -1.19745023e-11 -5.42569949e-05 -1.74875898e-11] Minimization converged after 109 steps. Minimization converged after 106 steps. Minimization converged after 84 steps. Minimization converged after 82 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-0.00014289 0.00013598 -0.00036571] [ 0.00014289 -0.00013598 -0.00036571] [ 0.00014289 0.00013598 0.00036571] [-0.00014289 -0.00013598 0.00036571] [-0.00219244 -0.00030465 0.00023276] [ 0.00219244 0.00030465 0.00023276] [ 0.00219244 -0.00030465 -0.00023276] [-0.00219244 0.00030465 -0.00023276] [ 0.00051655 -0.00027446 0.00071706] [ 0.00051655 0.00027446 -0.00071706] [-0.00051655 0.00027446 0.00071706] [-0.00051655 -0.00027446 -0.00071706] [ 0.00177366 -0.0006049 -0.00082006] [-0.00177366 -0.0006049 0.00082006] [ 0.00177366 0.0006049 0.00082006] [-0.00177366 0.0006049 -0.00082006] [ 0.00053991 -0.0013485 0.00112728] [-0.00053991 0.0013485 0.00112728] [-0.00053991 -0.0013485 -0.00112728] [ 0.00053991 0.0013485 -0.00112728] [-0.00060887 -0.00012458 0.00123684] [ 0.00060887 0.00012458 0.00123684] [ 0.00060887 -0.00012458 -0.00123684] [-0.00060887 0.00012458 -0.00123684]] Final stress: [3.10437680e-05 2.85647694e-05 1.00119375e-04 3.52256483e-15 6.74814507e-16 4.95144712e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 0.024341 0.0268671 0.022318 ] [-0.024341 -0.0268671 0.022318 ] [-0.024341 0.0268671 -0.022318 ] [ 0.024341 -0.0268671 -0.022318 ] [ 0.00962867 0.01020456 0.00388265] [-0.00962867 -0.01020456 0.00388265] [-0.00962867 0.01020456 -0.00388265] [ 0.00962867 -0.01020456 -0.00388265] [ 0.0066545 -0.00189081 -0.01641913] [ 0.0066545 0.00189081 0.01641913] [-0.0066545 0.00189081 -0.01641913] [-0.0066545 -0.00189081 0.01641913] [-0.02622213 0.0282093 -0.00528279] [ 0.02622213 0.0282093 0.00528279] [-0.02622213 -0.0282093 0.00528279] [ 0.02622213 -0.0282093 -0.00528279] [-0.00038135 0.01027638 -0.01638544] [ 0.00038135 -0.01027638 -0.01638544] [ 0.00038135 0.01027638 0.01638544] [-0.00038135 -0.01027638 0.01638544] [-0.00984961 0.01238236 -0.020445 ] [ 0.00984961 -0.01238236 -0.020445 ] [ 0.00984961 0.01238236 0.020445 ] [-0.00984961 -0.01238236 0.020445 ]] Final stress: [ 2.91684585e-04 2.74690164e-04 6.33323571e-04 -1.35215382e-14 -1.29277059e-15 6.48512838e-15] Minimization converged after 104 steps. Minimization converged after 105 steps. Minimization converged after 79 steps. Minimization converged after 78 steps. Minimization converged after 100 steps. Minimization converged after 98 steps. Minimization converged after 84 steps. Minimization converged after 83 steps. Minimization converged after 110 steps. Minimization converged after 110 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 79 steps. Final forces: [[-2.48303940e-03 -1.39660627e-04 2.38261706e-03] [ 2.48304171e-03 1.39664219e-04 2.38261411e-03] [ 5.10635897e-03 3.75593667e-03 1.71586493e-03] [-5.10636007e-03 -3.75593586e-03 1.71586577e-03] [-2.85207825e-03 -4.38755021e-03 4.28689292e-03] [ 2.85207772e-03 4.38755047e-03 4.28689071e-03] [-2.18372435e-03 -4.33964322e-03 7.03575232e-03] [ 2.18372528e-03 4.33964228e-03 7.03575209e-03] [ 3.91561497e-03 1.78590959e-03 8.35557167e-05] [-2.57583863e-03 -3.80856541e-03 -1.91155807e-03] [-3.91561528e-03 -1.78590996e-03 8.35564725e-05] [ 2.57583708e-03 3.80856655e-03 -1.91155891e-03] [-5.13505977e-03 4.38036458e-03 -1.77982082e-03] [-3.44203715e-03 7.49931985e-03 -8.93558824e-03] [ 3.44203866e-03 -7.49932113e-03 -8.93559003e-03] [ 5.13505670e-03 -4.38036583e-03 -1.77981724e-03] [ 1.14172446e-02 2.85936831e-03 -2.33204260e-03] [-1.14172470e-02 -2.85936817e-03 -2.33204083e-03] [-3.58621946e-03 2.10099731e-03 -1.12282743e-03] [ 3.58622241e-03 -2.10099772e-03 -1.12282459e-03] [ 5.56669865e-03 1.82935727e-03 2.65914428e-03] [-5.56669829e-03 -1.82935928e-03 2.65914764e-03] [ 2.37362224e-03 -6.96680142e-03 -2.08199093e-03] [-2.37362132e-03 6.96680176e-03 -2.08199433e-03]] Final stress: [3.60928236e-03 3.66602261e-03 1.21400802e-02 4.16811122e-12 2.23048995e-12 6.05349449e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 78 steps. Final forces: [[-0.00473019 0.00321663 -0.00346 ] [ 0.00473018 -0.00321664 -0.00346 ] [ 0.00116324 0.0019134 -0.0026841 ] [-0.00116324 -0.00191339 -0.00268409] [ 0.00313497 -0.00170721 -0.00375664] [-0.00313497 0.00170722 -0.00375664] [ 0.00151352 -0.00283185 -0.00272335] [-0.00151352 0.00283185 -0.00272335] [-0.00449314 0.00236949 -0.00037839] [-0.00023392 0.00043094 0.0026414 ] [ 0.00449314 -0.00236949 -0.00037839] [ 0.00023392 -0.00043095 0.0026414 ] [ 0.00264046 0.00761653 0.00744457] [ 0.00530387 0.0036849 0.00232236] [-0.00530387 -0.0036849 0.00232236] [-0.00264046 -0.00761653 0.00744457] [ 0.0026015 0.00043203 0.00218303] [-0.0026015 -0.00043203 0.00218303] [-0.00890904 -0.00122243 -0.001337 ] [ 0.00890904 0.00122243 -0.001337 ] [-0.00540082 -0.00376689 0.00222879] [ 0.00540082 0.0037669 0.00222879] [-0.00321403 0.0014409 -0.00248067] [ 0.00321403 -0.0014409 -0.00248068]] Final stress: [ 3.58951319e-03 3.64664205e-03 1.21683462e-02 -2.74174955e-12 5.89978350e-13 -4.49352809e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-3.72502444e-04 -6.83187684e-05 -1.19185486e-04] [ 3.30472448e-04 -6.60201346e-05 -2.31934310e-04] [ 3.30472475e-04 6.60201139e-05 2.31934323e-04] [-3.72502429e-04 6.83187642e-05 1.19185476e-04] [ 2.63612489e-04 -1.00398904e-04 2.02587605e-04] [-6.10977055e-05 9.10965560e-05 1.24560448e-04] [-6.10977434e-05 -9.10965142e-05 -1.24560430e-04] [ 2.63612509e-04 1.00398858e-04 -2.02587641e-04] [-3.61405801e-04 2.19329827e-04 1.85929437e-04] [-3.61405806e-04 -2.19329852e-04 -1.85929448e-04] [ 2.89800534e-04 1.77384602e-05 3.08432855e-04] [ 2.89800564e-04 -1.77384428e-05 -3.08432862e-04] [-2.17453248e-04 1.35743698e-04 2.27095945e-04] [ 1.20989071e-04 2.26345051e-04 -1.41729260e-04] [-2.17453280e-04 -1.35743648e-04 -2.27095915e-04] [ 1.20989150e-04 -2.26345041e-04 1.41729218e-04] [-1.74789926e-04 2.32688487e-05 7.23554898e-05] [ 1.72710839e-04 -2.52067280e-05 3.63540803e-05] [ 1.72710800e-04 2.52067924e-05 -3.63540198e-05] [-1.74789999e-04 -2.32689018e-05 -7.23555060e-05] [-2.95110861e-04 2.23893594e-05 -1.67536438e-04] [ 3.04774598e-04 -1.05282702e-04 -1.29787459e-04] [ 3.04774558e-04 1.05282669e-04 1.29787424e-04] [-2.95110792e-04 -2.23893601e-05 1.67536476e-04]] Final stress: [ 9.95478696e-06 1.84877019e-06 7.88314817e-06 1.53379709e-04 -1.61747469e-13 1.94468978e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-3.15220703e-04 7.84471208e-05 -2.29315972e-04] [ 3.52789768e-04 4.49929424e-05 -8.74584141e-05] [ 3.52789804e-04 -4.49929931e-05 8.74584507e-05] [-3.15220722e-04 -7.84470886e-05 2.29315999e-04] [ 9.28365480e-05 -5.43062849e-05 1.60823386e-04] [-2.73632197e-04 7.00359290e-05 2.12618472e-04] [-2.73632256e-04 -7.00358387e-05 -2.12618560e-04] [ 9.28366232e-05 5.43061765e-05 -1.60823465e-04] [-2.75770271e-04 -1.32256543e-05 3.14607829e-04] [-2.75770313e-04 1.32256512e-05 -3.14607823e-04] [ 3.69045298e-04 -2.09486157e-04 1.70664608e-04] [ 3.69045322e-04 2.09486158e-04 -1.70664597e-04] [-1.10657411e-04 2.29136892e-04 1.51039076e-04] [ 1.86533329e-04 1.55059443e-04 -2.44187256e-04] [-1.10657436e-04 -2.29136879e-04 -1.51039065e-04] [ 1.86533357e-04 -1.55059415e-04 2.44187243e-04] [-1.78518792e-04 -4.40037606e-06 5.39992398e-05] [ 1.70930816e-04 -2.37618258e-05 9.50182763e-05] [ 1.70930855e-04 2.37618937e-05 -9.50182181e-05] [-1.78518838e-04 4.40030088e-06 -5.39991709e-05] [-3.17165704e-04 1.26165891e-04 -1.32230273e-04] [ 2.98829298e-04 -2.52833677e-05 -1.97070478e-04] [ 2.98829248e-04 2.52833509e-05 1.97070459e-04] [-3.17165621e-04 -1.26165869e-04 1.32230255e-04]] Final stress: [ 9.74455304e-06 1.79044459e-06 8.01954433e-06 -1.53388179e-04 -3.65594655e-14 2.01941838e-14] Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 31 steps. Minimization converged after 30 steps. Minimization converged after 28 steps. Minimization converged after 33 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-9.49634984e-05 -3.55000265e-04 -4.61463561e-05] [ 2.26569171e-04 3.16065435e-04 7.38298445e-05] [ 9.49634484e-05 -3.55000209e-04 4.61463197e-05] [-2.26569119e-04 3.16065374e-04 -7.38298954e-05] [ 2.38453169e-04 -1.90709202e-04 1.38838443e-04] [-1.45881248e-04 1.19986302e-04 2.33274359e-04] [-2.38453044e-04 -1.90709404e-04 -1.38838303e-04] [ 1.45881119e-04 1.19986494e-04 -2.33274227e-04] [ 2.24921136e-04 2.80549239e-04 -7.12806641e-05] [ 1.27663060e-04 -7.06530614e-05 7.85316007e-05] [-1.27663031e-04 -7.06530865e-05 -7.85315754e-05] [-2.24921215e-04 2.80549235e-04 7.12806694e-05] [ 1.85467820e-04 -3.50102161e-04 2.18535741e-04] [-1.85467816e-04 -3.50102142e-04 -2.18535749e-04] [ 3.00555960e-04 2.92884568e-04 1.99809030e-05] [-3.00555988e-04 2.92884612e-04 -1.99808915e-05] [ 8.16940274e-05 -1.86623274e-04 1.29053653e-05] [-4.91924893e-05 1.61621359e-04 1.42976359e-05] [-8.16940555e-05 -1.86623451e-04 -1.29054743e-05] [ 4.91925779e-05 1.61621493e-04 -1.42977041e-05] [-1.89227931e-04 -3.15117840e-04 1.92584913e-05] [ 1.34747594e-04 2.97098903e-04 1.15179225e-04] [ 1.89228083e-04 -3.15117737e-04 -1.92585273e-05] [-1.34747731e-04 2.97098819e-04 -1.15179231e-04]] Final stress: [ 7.93020282e-06 9.78891489e-06 1.78775753e-06 -3.49244144e-14 1.53406119e-04 -2.33397711e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-2.36934700e-04 -3.35543856e-04 3.90394289e-05] [ 1.31267646e-04 3.84317011e-04 -6.22802479e-05] [ 2.36934626e-04 -3.35543779e-04 -3.90394899e-05] [-1.31267595e-04 3.84316952e-04 6.22802049e-05] [ 1.33071790e-04 -1.55349006e-04 2.09324082e-04] [-2.28228035e-04 1.97046442e-04 1.46460810e-04] [-1.33071660e-04 -1.55349217e-04 -2.09323946e-04] [ 2.28227911e-04 1.97046643e-04 -1.46460693e-04] [ 1.03016668e-04 6.22632871e-05 -7.33219840e-05] [ 2.09230925e-04 -2.50933907e-04 1.35770301e-04] [-2.09230829e-04 -2.50933886e-04 -1.35770349e-04] [-1.03016712e-04 6.22632627e-05 7.33220084e-05] [ 2.98967951e-04 -2.91396073e-04 -6.24290501e-07] [-2.98967911e-04 -2.91396035e-04 6.24292566e-07] [ 1.98769777e-04 3.63247726e-04 -2.05691070e-04] [-1.98769788e-04 3.63247776e-04 2.05691071e-04] [ 5.63243413e-05 -1.40468747e-04 6.80413059e-05] [-5.30305951e-05 1.91794647e-04 7.83266444e-06] [-5.63244069e-05 -1.40468927e-04 -6.80413745e-05] [ 5.30306418e-05 1.91794812e-04 -7.83273956e-06] [-1.30760422e-04 -3.12925874e-04 1.35922549e-04] [ 1.52281139e-04 2.87948326e-04 -1.45815631e-05] [ 1.30760564e-04 -3.12925778e-04 -1.35922565e-04] [-1.52281329e-04 2.87948199e-04 1.45815936e-05]] Final stress: [ 7.69739674e-06 9.87093225e-06 1.75677761e-06 -7.72032880e-14 -1.53553999e-04 -2.46995809e-13] Minimization converged after 31 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 31 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-5.84971825e-05 -1.21420333e-04 -4.31324951e-04] [ 5.84971991e-05 1.21420353e-04 -4.31324971e-04] [-5.72111940e-05 -2.07355819e-04 2.11014082e-04] [ 5.72111836e-05 2.07355822e-04 2.11014086e-04] [ 1.93874892e-04 2.39922518e-04 -2.93063972e-04] [-1.93874892e-04 -2.39922508e-04 -2.93063985e-04] [ 3.07046661e-05 1.94369980e-04 3.07917898e-04] [-3.07046675e-05 -1.94369978e-04 3.07917886e-04] [ 2.64594007e-04 2.80494472e-04 -3.57251667e-05] [ 8.11760247e-05 -5.47155042e-05 2.39052090e-04] [-2.64594010e-04 -2.80494480e-04 -3.57251553e-05] [-8.11760604e-05 5.47155231e-05 2.39052076e-04] [-6.62967447e-05 2.13006526e-04 3.11189953e-04] [ 4.57693086e-05 1.25781875e-04 -2.18911993e-05] [-4.57692746e-05 -1.25781919e-04 -2.18912133e-05] [ 6.62966817e-05 -2.13006537e-04 3.11189984e-04] [ 2.93035726e-05 3.06152980e-04 -2.13114542e-04] [-2.93035953e-05 -3.06152935e-04 -2.13114510e-04] [-2.57138006e-05 -1.37121815e-04 9.25674435e-05] [ 2.57138670e-05 1.37121814e-04 9.25674638e-05] [ 1.07202064e-04 -1.89313288e-04 -3.57713912e-04] [-1.07202019e-04 1.89313249e-04 -3.57713888e-04] [-6.97396364e-05 -7.01172001e-05 1.91092258e-04] [ 6.97396106e-05 7.01172054e-05 1.91092243e-04]] Final stress: [1.13799366e-06 6.99205619e-06 8.61958524e-06 5.24265535e-15 1.05186551e-14 1.52987083e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 7.09480897e-05 -2.39093884e-04 -3.37181982e-04] [-7.09480667e-05 2.39093903e-04 -3.37182001e-04] [ 7.89161814e-05 -1.15521277e-04 3.67692551e-04] [-7.89162179e-05 1.15521315e-04 3.67692582e-04] [-9.81874927e-06 3.06859889e-04 -3.04567330e-04] [ 9.81873898e-06 -3.06859908e-04 -3.04567316e-04] [-2.13787356e-04 1.87124116e-04 3.45058969e-04] [ 2.13787348e-04 -1.87124107e-04 3.45058988e-04] [ 2.11501722e-04 1.38727478e-04 -1.46870102e-04] [ 1.46247195e-04 -2.25368918e-04 1.97632862e-04] [-2.11501697e-04 -1.38727449e-04 -1.46870138e-04] [-1.46247184e-04 2.25368913e-04 1.97632869e-04] [-6.67494636e-05 1.46838124e-04 7.28005053e-05] [ 1.31171627e-04 1.72886805e-04 -2.48307076e-04] [-1.31171530e-04 -1.72886854e-04 -2.48307132e-04] [ 6.67493903e-05 -1.46838178e-04 7.28005550e-05] [ 1.59230886e-05 2.57258460e-05 -1.54437197e-04] [-1.59231585e-05 -2.57258373e-05 -1.54437232e-04] [-4.31966214e-05 8.16996367e-05 1.84248424e-04] [ 4.31966615e-05 -8.16996077e-05 1.84248412e-04] [ 1.18804539e-04 -1.18939694e-04 -2.89323097e-04] [-1.18804494e-04 1.18939704e-04 -2.89323050e-04] [-2.84837895e-06 -1.74987299e-04 3.13253476e-04] [ 2.84833511e-06 1.74987282e-04 3.13253458e-04]] Final stress: [ 1.80038578e-06 7.79478594e-06 9.90460993e-06 -2.81510949e-14 1.26314849e-13 -1.53374581e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-3.59164976e-05 6.10520755e-05 2.20443234e-04] [ 3.59164965e-05 -6.10520762e-05 2.20443235e-04] [ 3.59164977e-05 6.10520756e-05 -2.20443234e-04] [-3.59164960e-05 -6.10520770e-05 -2.20443235e-04] [-3.83318664e-04 8.81054964e-04 -3.09872676e-04] [ 3.83318665e-04 -8.81054962e-04 -3.09872678e-04] [ 3.83318663e-04 8.81054965e-04 3.09872676e-04] [-3.83318668e-04 -8.81054957e-04 3.09872680e-04] [ 1.94738369e-04 -1.02354715e-03 -7.83526992e-05] [ 1.94738372e-04 1.02354715e-03 7.83526986e-05] [-1.94738375e-04 1.02354714e-03 -7.83526961e-05] [-1.94738370e-04 -1.02354715e-03 7.83526996e-05] [ 3.26882609e-04 2.38969348e-04 -9.14813268e-05] [-3.26882613e-04 2.38969351e-04 9.14813242e-05] [ 3.26882605e-04 -2.38969347e-04 9.14813283e-05] [-3.26882605e-04 -2.38969345e-04 -9.14813285e-05] [ 5.89546918e-04 2.55311863e-04 -7.07409406e-04] [-5.89546908e-04 -2.55311868e-04 -7.07409407e-04] [-5.89546917e-04 2.55311860e-04 7.07409405e-04] [ 5.89546911e-04 -2.55311863e-04 7.07409407e-04] [ 4.68326498e-04 -4.03295337e-04 -1.91857341e-04] [-4.68326498e-04 4.03295331e-04 -1.91857340e-04] [-4.68326496e-04 -4.03295333e-04 1.91857340e-04] [ 4.68326502e-04 4.03295333e-04 1.91857341e-04]] Final stress: [ 6.93033841e-05 1.92294424e-05 1.80837572e-05 -2.03686726e-15 -4.16518146e-15 -3.63846400e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 2.18933502e-04 5.74507684e-05 -1.33088607e-04] [-2.18933501e-04 -5.74507672e-05 -1.33088609e-04] [-2.18933500e-04 5.74507658e-05 1.33088609e-04] [ 2.18933498e-04 -5.74507644e-05 1.33088611e-04] [ 4.55705892e-04 -1.05902477e-03 2.61889439e-04] [-4.55705892e-04 1.05902477e-03 2.61889435e-04] [-4.55705898e-04 -1.05902476e-03 -2.61889443e-04] [ 4.55705897e-04 1.05902476e-03 -2.61889440e-04] [-5.98786153e-05 1.38090367e-03 2.74055382e-04] [-5.98786193e-05 -1.38090367e-03 -2.74055383e-04] [ 5.98786141e-05 -1.38090367e-03 2.74055386e-04] [ 5.98786189e-05 1.38090367e-03 -2.74055382e-04] [-1.73839977e-04 -1.73185959e-04 2.49562319e-04] [ 1.73839975e-04 -1.73185959e-04 -2.49562319e-04] [-1.73839971e-04 1.73185956e-04 -2.49562323e-04] [ 1.73839970e-04 1.73185954e-04 2.49562324e-04] [-7.10432301e-04 -2.05463011e-04 7.47913106e-04] [ 7.10432299e-04 2.05463012e-04 7.47913105e-04] [ 7.10432306e-04 -2.05463004e-04 -7.47913105e-04] [-7.10432302e-04 2.05463007e-04 -7.47913102e-04] [-4.52398351e-04 3.99789808e-04 9.67278737e-05] [ 4.52398356e-04 -3.99789807e-04 9.67278803e-05] [ 4.52398345e-04 3.99789803e-04 -9.67278743e-05] [-4.52398347e-04 -3.99789803e-04 -9.67278815e-05]] Final stress: [-6.58380939e-05 -1.94067854e-05 -2.03144250e-05 1.12851247e-17 8.17534862e-15 1.32432777e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-4.78448000e-05 6.95531585e-05 -1.41879325e-04] [ 4.78448047e-05 -6.95531561e-05 -1.41879329e-04] [ 4.78448036e-05 6.95531552e-05 1.41879327e-04] [-4.78448064e-05 -6.95531534e-05 1.41879330e-04] [-4.71520164e-06 8.14202256e-04 -2.47313141e-04] [ 4.71519491e-06 -8.14202266e-04 -2.47313138e-04] [ 4.71519535e-06 8.14202269e-04 2.47313134e-04] [-4.71519173e-06 -8.14202275e-04 2.47313138e-04] [-1.86316632e-04 -5.85403281e-05 1.61912584e-04] [-1.86316632e-04 5.85403214e-05 -1.61912593e-04] [ 1.86316637e-04 5.85403286e-05 1.61912583e-04] [ 1.86316626e-04 -5.85403229e-05 -1.61912591e-04] [-2.37459262e-04 5.37190346e-04 -3.79847299e-04] [ 2.37459265e-04 5.37190340e-04 3.79847303e-04] [-2.37459253e-04 -5.37190346e-04 3.79847294e-04] [ 2.37459239e-04 -5.37190365e-04 -3.79847286e-04] [ 6.50440244e-06 6.02890061e-04 -6.49737826e-04] [-6.50441515e-06 -6.02890057e-04 -6.49737831e-04] [-6.50439838e-06 6.02890087e-04 6.49737832e-04] [ 6.50441885e-06 -6.02890069e-04 6.49737832e-04] [ 1.16287053e-04 3.94983129e-04 -4.58991594e-04] [-1.16287042e-04 -3.94983119e-04 -4.58991581e-04] [-1.16287048e-04 3.94983120e-04 4.58991592e-04] [ 1.16287043e-04 -3.94983115e-04 4.58991584e-04]] Final stress: [ 4.84857250e-05 4.81784172e-05 2.78543782e-05 -1.42619777e-14 1.87448972e-14 1.54093569e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 6.50655133e-04 -1.09294179e-03 5.09423525e-04] [-6.50655124e-04 1.09294180e-03 5.09423516e-04] [-6.50655131e-04 -1.09294179e-03 -5.09423522e-04] [ 6.50655125e-04 1.09294179e-03 -5.09423517e-04] [-7.50087037e-04 1.46896770e-04 3.99003732e-04] [ 7.50087033e-04 -1.46896774e-04 3.99003729e-04] [ 7.50087029e-04 1.46896782e-04 -3.99003738e-04] [-7.50087038e-04 -1.46896767e-04 -3.99003725e-04] [-1.18101707e-05 5.43896776e-04 9.07944493e-04] [-1.18101808e-05 -5.43896771e-04 -9.07944486e-04] [ 1.18101713e-05 -5.43896776e-04 9.07944494e-04] [ 1.18101596e-05 5.43896785e-04 -9.07944505e-04] [-8.32182786e-04 -2.22245683e-04 3.40634798e-04] [ 8.32182786e-04 -2.22245690e-04 -3.40634798e-04] [-8.32182773e-04 2.22245680e-04 -3.40634807e-04] [ 8.32182768e-04 2.22245682e-04 3.40634810e-04] [ 3.62021124e-04 -5.13129184e-04 2.79716291e-04] [-3.62021133e-04 5.13129182e-04 2.79716283e-04] [-3.62021112e-04 -5.13129181e-04 -2.79716294e-04] [ 3.62021142e-04 5.13129176e-04 -2.79716280e-04] [ 2.15697621e-04 6.45992028e-04 -7.91842823e-04] [-2.15697602e-04 -6.45992052e-04 -7.91842816e-04] [-2.15697612e-04 6.45992042e-04 7.91842825e-04] [ 2.15697610e-04 -6.45992037e-04 7.91842814e-04]] Final stress: [ 1.82126065e-05 -2.01588714e-05 3.74301704e-07 1.83579721e-15 3.86851780e-14 3.99480907e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-5.98504079e-04 1.12344809e-03 -4.59339779e-04] [ 5.98504081e-04 -1.12344809e-03 -4.59339780e-04] [ 5.98504083e-04 1.12344808e-03 4.59339782e-04] [-5.98504086e-04 -1.12344808e-03 4.59339784e-04] [ 1.04777279e-03 3.18229499e-04 -1.64183030e-04] [-1.04777278e-03 -3.18229492e-04 -1.64183036e-04] [-1.04777279e-03 3.18229504e-04 1.64183028e-04] [ 1.04777280e-03 -3.18229518e-04 1.64183020e-04] [ 3.23438305e-04 -3.55168425e-04 -6.41668154e-04] [ 3.23438294e-04 3.55168426e-04 6.41668156e-04] [-3.23438291e-04 3.55168433e-04 -6.41668164e-04] [-3.23438292e-04 -3.55168428e-04 6.41668157e-04] [ 5.47434873e-04 4.54823228e-06 -5.57040519e-04] [-5.47434869e-04 4.54822907e-06 5.57040522e-04] [ 5.47434880e-04 -4.54823114e-06 5.57040515e-04] [-5.47434880e-04 -4.54824020e-06 -5.57040514e-04] [ 8.83303434e-05 3.37583063e-04 -2.97909073e-04] [-8.83303639e-05 -3.37583059e-04 -2.97909074e-04] [-8.83303457e-05 3.37583078e-04 2.97909076e-04] [ 8.83303480e-05 -3.37583075e-04 2.97909081e-04] [-5.23050592e-04 -4.90893149e-04 1.08317577e-03] [ 5.23050589e-04 4.90893161e-04 1.08317578e-03] [ 5.23050574e-04 -4.90893168e-04 -1.08317577e-03] [-5.23050587e-04 4.90893158e-04 -1.08317577e-03]] Final stress: [-1.61061251e-05 1.41555077e-05 3.61624908e-07 4.89921983e-15 1.34469101e-14 2.45852924e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 1.95450982e-05 -5.72846787e-05 9.50552446e-05] [-1.95451003e-05 5.72846765e-05 9.50552465e-05] [-1.95450960e-05 -5.72846808e-05 -9.50552429e-05] [ 1.95450971e-05 5.72846805e-05 -9.50552431e-05] [ 5.40046537e-05 -6.71858338e-04 6.77499575e-05] [-5.40046488e-05 6.71858346e-04 6.77499541e-05] [-5.40046559e-05 -6.71858336e-04 -6.77499600e-05] [ 5.40046552e-05 6.71858336e-04 -6.77499597e-05] [ 2.27153816e-04 1.92920105e-04 -9.60140838e-05] [ 2.27153813e-04 -1.92920105e-04 9.60140828e-05] [-2.27153812e-04 -1.92920101e-04 -9.60140871e-05] [-2.27153809e-04 1.92920101e-04 9.60140895e-05] [ 2.19530581e-04 -3.45939552e-04 4.27066574e-04] [-2.19530585e-04 -3.45939546e-04 -4.27066577e-04] [ 2.19530584e-04 3.45939552e-04 -4.27066575e-04] [-2.19530581e-04 3.45939549e-04 4.27066574e-04] [ 8.06271249e-05 -5.25967952e-04 5.30384637e-04] [-8.06271247e-05 5.25967948e-04 5.30384636e-04] [-8.06271258e-05 -5.25967946e-04 -5.30384633e-04] [ 8.06271206e-05 5.25967946e-04 -5.30384634e-04] [-1.71592384e-04 -1.78199094e-04 4.50354850e-04] [ 1.71592384e-04 1.78199100e-04 4.50354853e-04] [ 1.71592373e-04 -1.78199103e-04 -4.50354853e-04] [-1.71592379e-04 1.78199093e-04 -4.50354851e-04]] Final stress: [-4.83909466e-05 -4.86023384e-05 -2.95964345e-05 -9.25670393e-15 2.43792569e-15 4.07747164e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.11072605e-04 -3.40209147e-04 -2.28367825e-04] [ 1.11072606e-04 3.40209148e-04 -2.28367826e-04] [ 1.11072607e-04 -3.40209149e-04 2.28367827e-04] [-1.11072606e-04 3.40209147e-04 2.28367826e-04] [ 4.58032016e-05 2.45117121e-04 -3.32451855e-04] [-4.58032017e-05 -2.45117122e-04 -3.32451854e-04] [-4.58032087e-05 2.45117131e-04 3.32451847e-04] [ 4.58032020e-05 -2.45117119e-04 3.32451856e-04] [ 4.22310868e-04 -3.10261841e-04 -1.49399635e-04] [ 4.22310865e-04 3.10261843e-04 1.49399636e-04] [-4.22310875e-04 3.10261836e-04 -1.49399628e-04] [-4.22310864e-04 -3.10261843e-04 1.49399639e-04] [ 8.73771287e-04 -4.10516446e-04 4.66555509e-05] [-8.73771285e-04 -4.10516449e-04 -4.66555491e-05] [ 8.73771288e-04 4.10516444e-04 -4.66555510e-05] [-8.73771280e-04 4.10516454e-04 4.66555470e-05] [ 6.67952101e-04 -7.26833814e-04 1.99982713e-05] [-6.67952094e-04 7.26833815e-04 1.99982679e-05] [-6.67952093e-04 -7.26833819e-04 -1.99982704e-05] [ 6.67952089e-04 7.26833814e-04 -1.99982725e-05] [ 4.98712058e-04 -4.04564776e-04 1.89749078e-04] [-4.98712060e-04 4.04564766e-04 1.89749082e-04] [-4.98712066e-04 -4.04564769e-04 -1.89749080e-04] [ 4.98712066e-04 4.04564776e-04 -1.89749084e-04]] Final stress: [ 4.30214174e-05 2.30446842e-05 4.33266921e-05 -3.28971355e-16 -2.19736763e-15 1.23969914e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.18512610e-03 -4.36883948e-04 -6.80317924e-04] [-1.18512609e-03 4.36883953e-04 -6.80317931e-04] [-1.18512610e-03 -4.36883949e-04 6.80317925e-04] [ 1.18512609e-03 4.36883955e-04 6.80317932e-04] [-3.81068555e-04 -6.54211227e-04 3.39171901e-04] [ 3.81068554e-04 6.54211230e-04 3.39171889e-04] [ 3.81068553e-04 -6.54211225e-04 -3.39171897e-04] [-3.81068554e-04 6.54211229e-04 -3.39171885e-04] [-5.80723890e-05 -4.30676211e-04 5.22427067e-04] [-5.80724090e-05 4.30676223e-04 -5.22427050e-04] [ 5.80723976e-05 4.30676215e-04 5.22427064e-04] [ 5.80723980e-05 -4.30676219e-04 -5.22427053e-04] [ 3.48880046e-04 -1.19082551e-04 9.44980383e-04] [-3.48880040e-04 -1.19082555e-04 -9.44980378e-04] [ 3.48880062e-04 1.19082544e-04 -9.44980392e-04] [-3.48880074e-04 1.19082537e-04 9.44980401e-04] [ 4.77867741e-04 -2.36357439e-04 -1.10248718e-04] [-4.77867762e-04 2.36357441e-04 -1.10248731e-04] [-4.77867727e-04 -2.36357436e-04 1.10248705e-04] [ 4.77867753e-04 2.36357441e-04 1.10248720e-04] [-4.32419225e-04 1.09639047e-03 -5.96857569e-04] [ 4.32419243e-04 -1.09639047e-03 -5.96857549e-04] [ 4.32419227e-04 1.09639046e-03 5.96857554e-04] [-4.32419240e-04 -1.09639047e-03 5.96857536e-04]] Final stress: [ 1.19067351e-05 3.31357456e-07 -1.38695722e-05 -3.60213051e-15 4.64744529e-14 2.56870321e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.09294167e-03 5.09423532e-04 6.50655003e-04] [ 1.09294168e-03 -5.09423527e-04 6.50654997e-04] [ 1.09294168e-03 5.09423526e-04 -6.50654996e-04] [-1.09294167e-03 -5.09423530e-04 -6.50655001e-04] [ 5.43896796e-04 9.07944505e-04 -1.18094632e-05] [-5.43896791e-04 -9.07944500e-04 -1.18094718e-05] [-5.43896795e-04 9.07944507e-04 1.18094649e-05] [ 5.43896798e-04 -9.07944509e-04 1.18094595e-05] [-2.22246119e-04 3.40634658e-04 -8.32182988e-04] [-2.22246112e-04 -3.40634664e-04 8.32182978e-04] [ 2.22246108e-04 -3.40634669e-04 -8.32182969e-04] [ 2.22246106e-04 3.40634673e-04 8.32182964e-04] [ 1.46896909e-04 3.99003436e-04 -7.50086935e-04] [-1.46896906e-04 3.99003428e-04 7.50086935e-04] [ 1.46896906e-04 -3.99003432e-04 7.50086935e-04] [-1.46896904e-04 -3.99003428e-04 -7.50086937e-04] [-5.13129573e-04 2.79715872e-04 3.62021940e-04] [ 5.13129579e-04 -2.79715867e-04 3.62021955e-04] [ 5.13129573e-04 2.79715871e-04 -3.62021948e-04] [-5.13129574e-04 -2.79715882e-04 -3.62021933e-04] [ 6.45991937e-04 -7.91843014e-04 2.15697876e-04] [-6.45991942e-04 7.91843004e-04 2.15697867e-04] [-6.45991942e-04 -7.91843005e-04 -2.15697860e-04] [ 6.45991940e-04 7.91843015e-04 -2.15697872e-04]] Final stress: [-2.01588760e-05 3.74301667e-07 1.82126115e-05 2.89564554e-14 3.36237881e-16 -3.33489191e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-6.19371301e-05 9.02595659e-05 1.44234942e-05] [ 6.19371315e-05 -9.02595647e-05 1.44234932e-05] [ 6.19371320e-05 9.02595641e-05 -1.44234926e-05] [-6.19371325e-05 -9.02595636e-05 -1.44234923e-05] [ 1.87136227e-04 -1.02052297e-04 2.30309012e-04] [-1.87136226e-04 1.02052299e-04 2.30309011e-04] [-1.87136227e-04 -1.02052296e-04 -2.30309012e-04] [ 1.87136229e-04 1.02052295e-04 -2.30309011e-04] [-3.40076154e-04 4.22933268e-04 2.13599111e-04] [-3.40076156e-04 -4.22933267e-04 -2.13599109e-04] [ 3.40076158e-04 -4.22933266e-04 2.13599107e-04] [ 3.40076155e-04 4.22933269e-04 -2.13599110e-04] [-6.72009115e-04 7.03034477e-05 5.20459133e-05] [ 6.72009121e-04 7.03034421e-05 -5.20459096e-05] [-6.72009114e-04 -7.03034458e-05 -5.20459141e-05] [ 6.72009117e-04 -7.03034451e-05 5.20459128e-05] [-5.24979907e-04 5.35979058e-04 8.48060740e-05] [ 5.24979900e-04 -5.35979056e-04 8.48060701e-05] [ 5.24979904e-04 5.35979060e-04 -8.48060730e-05] [-5.24979904e-04 -5.35979063e-04 -8.48060717e-05] [-1.68973156e-04 4.54150326e-04 -1.69872149e-04] [ 1.68973153e-04 -4.54150327e-04 -1.69872148e-04] [ 1.68973150e-04 4.54150324e-04 1.69872148e-04] [-1.68973156e-04 -4.54150325e-04 1.69872147e-04]] Final stress: [-4.84418873e-05 -2.94392539e-05 -4.82297120e-05 1.93672887e-15 7.35369189e-15 5.92309958e-15] Minimization converged after 101 steps. Minimization converged after 100 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.0028692 0.00118792 -0.00121924] [ 0.00381885 -0.00858211 0.00381458] [ 0.00381885 0.00858211 -0.00381458] [-0.0028692 -0.00118792 0.00121924] [ 0.00252971 -0.00241559 -0.00233779] [-0.00077099 -0.00024774 0.00179176] [-0.00077099 0.00024774 -0.00179176] [ 0.00252971 0.00241559 0.00233779] [ 0.00394519 -0.0034128 -0.00264294] [ 0.00394519 0.0034128 0.00264294] [ 0.00424799 -0.00534802 0.00207437] [ 0.00424799 0.00534802 -0.00207437] [-0.00103026 -0.00040439 -0.00476336] [-0.00488631 0.00180908 0.00800264] [-0.00103026 0.00040439 0.00476336] [-0.00488631 -0.00180908 -0.00800264] [ 0.00353861 -0.0026954 0.00465828] [-0.00089471 -0.00958043 0.00143285] [-0.00089471 0.00958043 -0.00143285] [ 0.00353861 0.0026954 -0.00465828] [-0.00493441 -0.0043441 0.00513986] [-0.00269446 0.00013244 -0.00207029] [-0.00269446 -0.00013244 0.00207029] [-0.00493441 0.0043441 -0.00513986]] Final stress: [ 2.85615861e-05 -1.54842580e-04 -1.64611734e-04 1.85643900e-04 -7.34149559e-16 6.71782181e-15] Minimization converged after 98 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-2.00407712e-03 3.98584685e-03 4.42009538e-03] [ 2.78094037e-03 -2.41786908e-03 -1.30190353e-03] [ 2.00407711e-03 3.98584685e-03 -4.42009539e-03] [-2.78094037e-03 -2.41786907e-03 1.30190354e-03] [-3.73332586e-04 2.00246371e-04 -1.47870941e-04] [-2.02726000e-03 3.02882281e-03 1.38727050e-03] [ 3.73332593e-04 2.00246360e-04 1.47870944e-04] [ 2.02725999e-03 3.02882282e-03 -1.38727049e-03] [-1.05418386e-03 -2.00662402e-03 -2.43356266e-03] [-9.35921926e-04 -8.84052694e-04 -1.39636280e-03] [ 9.35921940e-04 -8.84052685e-04 1.39636278e-03] [ 1.05418387e-03 -2.00662403e-03 2.43356267e-03] [ 3.52585843e-03 -2.69902190e-03 -1.33566967e-03] [-3.52585843e-03 -2.69902189e-03 1.33566967e-03] [ 4.01630240e-04 -4.01952027e-03 5.10655712e-03] [-4.01630241e-04 -4.01952028e-03 -5.10655712e-03] [ 1.80082156e-03 1.75348899e-03 5.96791653e-03] [-3.46817861e-04 -1.16560200e-03 -3.55244616e-04] [-1.80082157e-03 1.75348899e-03 -5.96791652e-03] [ 3.46817864e-04 -1.16560199e-03 3.55244600e-04] [-2.40309033e-03 2.33862004e-03 -6.54750102e-04] [-2.17530428e-03 1.88566490e-03 -5.10240656e-05] [ 2.40309034e-03 2.33862004e-03 6.54750092e-04] [ 2.17530427e-03 1.88566488e-03 5.10240735e-05]] Final stress: [-1.03159002e-05 -1.03390157e-04 -1.06119741e-04 -2.95561453e-14 -1.29120307e-04 -2.04174179e-14] Minimization converged after 83 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 83 steps. Minimization converged after 82 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 2.19082475e-04 -3.66470437e-05 6.00163893e-05] [-2.19082478e-04 3.66470412e-05 6.00163925e-05] [-2.19082478e-04 -3.66470401e-05 -6.00163928e-05] [ 2.19082476e-04 3.66470426e-05 -6.00163903e-05] [-9.15742783e-05 3.26405109e-04 2.39288251e-04] [ 9.15742747e-05 -3.26405114e-04 2.39288258e-04] [ 9.15742786e-05 3.26405107e-04 -2.39288253e-04] [-9.15742784e-05 -3.26405108e-04 -2.39288252e-04] [-3.10425256e-04 -3.82829268e-04 8.80492349e-04] [-3.10425257e-04 3.82829270e-04 -8.80492346e-04] [ 3.10425260e-04 3.82829274e-04 8.80492340e-04] [ 3.10425262e-04 -3.82829276e-04 -8.80492337e-04] [-7.93791672e-05 1.95776263e-04 -1.02273716e-03] [ 7.93791680e-05 1.95776266e-04 1.02273716e-03] [-7.93791678e-05 -1.95776265e-04 1.02273716e-03] [ 7.93791704e-05 -1.95776264e-04 -1.02273716e-03] [-7.06827132e-04 5.90680316e-04 2.55722463e-04] [ 7.06827130e-04 -5.90680318e-04 2.55722456e-04] [ 7.06827129e-04 5.90680314e-04 -2.55722457e-04] [-7.06827132e-04 -5.90680310e-04 -2.55722468e-04] [-1.92292862e-04 4.69031427e-04 -4.02210060e-04] [ 1.92292859e-04 -4.69031420e-04 -4.02210058e-04] [ 1.92292863e-04 4.69031423e-04 4.02210054e-04] [-1.92292860e-04 -4.69031426e-04 4.02210060e-04]] Final stress: [ 1.81020804e-05 6.93298780e-05 1.92471058e-05 -1.31400032e-14 -4.56022679e-15 -2.65988044e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-1.52327827e-04 1.96017747e-04 3.42660672e-05] [ 1.52327829e-04 -1.96017745e-04 3.42660646e-05] [ 1.52327830e-04 1.96017744e-04 -3.42660637e-05] [-1.52327828e-04 -1.96017746e-04 -3.42660658e-05] [ 2.80063642e-04 -1.42179401e-04 -1.96436429e-04] [-2.80063644e-04 1.42179398e-04 -1.96436429e-04] [-2.80063646e-04 -1.42179394e-04 1.96436427e-04] [ 2.80063647e-04 1.42179394e-04 1.96436425e-04] [ 2.39695738e-04 4.74746118e-04 -1.03549792e-03] [ 2.39695733e-04 -4.74746117e-04 1.03549792e-03] [-2.39695741e-04 -4.74746123e-04 -1.03549791e-03] [-2.39695739e-04 4.74746123e-04 1.03549791e-03] [ 2.92161179e-04 -9.45994996e-05 1.39099014e-03] [-2.92161179e-04 -9.45995040e-05 -1.39099014e-03] [ 2.92161183e-04 9.45994989e-05 -1.39099014e-03] [-2.92161180e-04 9.45995031e-05 1.39099014e-03] [ 7.49579672e-04 -7.20874269e-04 -2.15738701e-04] [-7.49579672e-04 7.20874273e-04 -2.15738695e-04] [-7.49579667e-04 -7.20874269e-04 2.15738697e-04] [ 7.49579672e-04 7.20874267e-04 2.15738702e-04] [ 6.88616757e-05 -4.62862348e-04 3.96690694e-04] [-6.88616749e-05 4.62862341e-04 3.96690690e-04] [-6.88616823e-05 -4.62862344e-04 -3.96690691e-04] [ 6.88616805e-05 4.62862352e-04 -3.96690695e-04]] Final stress: [-2.10591219e-05 -6.67767732e-05 -2.01518638e-05 1.03069865e-14 2.35024939e-15 8.81911082e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.79460822e-04 -8.25501871e-05 3.53744297e-05] [ 1.79460824e-04 8.25501902e-05 3.53744267e-05] [ 1.79460824e-04 -8.25501913e-05 -3.53744258e-05] [-1.79460819e-04 8.25501856e-05 -3.53744321e-05] [-3.70482028e-04 -2.26313974e-04 5.20225378e-04] [ 3.70482031e-04 2.26313979e-04 5.20225372e-04] [ 3.70482030e-04 -2.26313975e-04 -5.20225373e-04] [-3.70482029e-04 2.26313975e-04 -5.20225378e-04] [-2.72912054e-04 3.47045786e-06 8.24401725e-04] [-2.72912049e-04 -3.47046195e-06 -8.24401730e-04] [ 2.72912042e-04 -3.47046786e-06 8.24401741e-04] [ 2.72912039e-04 3.47047302e-06 -8.24401749e-04] [ 1.71357581e-04 -2.10711922e-04 -4.29354867e-05] [-1.71357581e-04 -2.10711928e-04 4.29354859e-05] [ 1.71357574e-04 2.10711928e-04 4.29354905e-05] [-1.71357581e-04 2.10711926e-04 -4.29354869e-05] [-6.61223302e-04 1.13067384e-05 6.15501482e-04] [ 6.61223313e-04 -1.13067363e-05 6.15501497e-04] [ 6.61223308e-04 1.13067399e-05 -6.15501496e-04] [-6.61223305e-04 -1.13067460e-05 -6.15501479e-04] [-4.47098758e-04 1.31725032e-04 4.19892481e-04] [ 4.47098758e-04 -1.31725043e-04 4.19892468e-04] [ 4.47098764e-04 1.31725042e-04 -4.19892467e-04] [-4.47098761e-04 -1.31725035e-04 -4.19892473e-04]] Final stress: [ 2.71470894e-05 4.76777614e-05 4.73711392e-05 2.25097049e-14 -5.22084051e-15 1.58009570e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.09805183e-04 6.45176279e-04 -1.08793662e-03] [-5.09805183e-04 -6.45176278e-04 -1.08793662e-03] [-5.09805179e-04 6.45176274e-04 1.08793663e-03] [ 5.09805177e-04 -6.45176272e-04 1.08793663e-03] [ 3.45340133e-04 -8.27522101e-04 -2.27106363e-04] [-3.45340138e-04 8.27522092e-04 -2.27106357e-04] [-3.45340141e-04 -8.27522086e-04 2.27106358e-04] [ 3.45340147e-04 8.27522077e-04 2.27106351e-04] [ 3.89945851e-04 -7.50006477e-04 1.47379436e-04] [ 3.89945846e-04 7.50006476e-04 -1.47379435e-04] [-3.89945851e-04 7.50006475e-04 1.47379437e-04] [-3.89945845e-04 -7.50006477e-04 -1.47379433e-04] [ 9.01427143e-04 1.58134028e-06 5.38635842e-04] [-9.01427137e-04 1.58133027e-06 -5.38635837e-04] [ 9.01427137e-04 -1.58133382e-06 -5.38635837e-04] [-9.01427146e-04 -1.58134319e-06 5.38635844e-04] [ 2.73323057e-04 3.77731672e-04 -5.22174839e-04] [-2.73323061e-04 -3.77731664e-04 -5.22174833e-04] [-2.73323049e-04 3.77731687e-04 5.22174838e-04] [ 2.73323052e-04 -3.77731682e-04 5.22174833e-04] [-8.05465930e-04 2.30281442e-04 6.44097615e-04] [ 8.05465929e-04 -2.30281435e-04 6.44097615e-04] [ 8.05465925e-04 2.30281432e-04 -6.44097622e-04] [-8.05465921e-04 -2.30281425e-04 -6.44097620e-04]] Final stress: [ 3.73119144e-07 1.82605857e-05 -2.01950988e-05 2.32264892e-15 -8.99648715e-15 3.11830324e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-4.59703669e-04 -6.04003666e-04 1.12929835e-03] [ 4.59703668e-04 6.04003666e-04 1.12929835e-03] [ 4.59703670e-04 -6.04003667e-04 -1.12929835e-03] [-4.59703668e-04 6.04003665e-04 -1.12929835e-03] [-5.53186244e-04 5.53546733e-04 3.35008982e-07] [ 5.53186245e-04 -5.53546732e-04 3.35007710e-07] [ 5.53186242e-04 5.53546737e-04 -3.35012310e-07] [-5.53186240e-04 -5.53546740e-04 -3.35016523e-07] [-1.72177027e-04 1.04986995e-03 3.20559181e-04] [-1.72177029e-04 -1.04986995e-03 -3.20559182e-04] [ 1.72177029e-04 -1.04986995e-03 3.20559180e-04] [ 1.72177029e-04 1.04986995e-03 -3.20559185e-04] [-6.48957600e-04 3.35851672e-04 -3.60747209e-04] [ 6.48957591e-04 3.35851676e-04 3.60747204e-04] [-6.48957597e-04 -3.35851673e-04 3.60747208e-04] [ 6.48957602e-04 -3.35851670e-04 -3.60747211e-04] [-3.03733051e-04 1.02422390e-04 3.28933506e-04] [ 3.03733052e-04 -1.02422390e-04 3.28933511e-04] [ 3.03733050e-04 1.02422389e-04 -3.28933503e-04] [-3.03733052e-04 -1.02422391e-04 -3.28933501e-04] [ 1.07263619e-03 -5.10003275e-04 -4.92618869e-04] [-1.07263619e-03 5.10003276e-04 -4.92618873e-04] [-1.07263620e-03 -5.10003277e-04 4.92618875e-04] [ 1.07263620e-03 5.10003276e-04 4.92618879e-04]] Final stress: [ 3.60684410e-07 -1.60611503e-05 1.40979470e-05 4.09220560e-15 -5.55666908e-15 1.21674776e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 8.26520525e-05 4.85151886e-06 -7.16459859e-05] [-8.26520512e-05 -4.85151736e-06 -7.16459870e-05] [-8.26520527e-05 4.85151940e-06 7.16459860e-05] [ 8.26520531e-05 -4.85152000e-06 7.16459856e-05] [ 4.16354473e-04 2.09574674e-04 -3.39747813e-04] [-4.16354471e-04 -2.09574670e-04 -3.39747816e-04] [-4.16354470e-04 2.09574669e-04 3.39747818e-04] [ 4.16354466e-04 -2.09574663e-04 3.39747822e-04] [ 7.59703996e-05 5.18442198e-05 -6.69246185e-04] [ 7.59704004e-05 -5.18442160e-05 6.69246189e-04] [-7.59704005e-05 -5.18442201e-05 -6.69246184e-04] [-7.59704003e-05 5.18442175e-05 6.69246188e-04] [-1.08471075e-04 2.28468387e-04 1.80366460e-04] [ 1.08471078e-04 2.28468387e-04 -1.80366458e-04] [-1.08471075e-04 -2.28468389e-04 -1.80366460e-04] [ 1.08471079e-04 -2.28468383e-04 1.80366458e-04] [ 5.36147538e-04 8.78374999e-05 -5.22582289e-04] [-5.36147539e-04 -8.78375015e-05 -5.22582293e-04] [-5.36147542e-04 8.78374905e-05 5.22582285e-04] [ 5.36147539e-04 -8.78374951e-05 5.22582287e-04] [ 4.59064925e-04 -1.62886704e-04 -1.55204843e-04] [-4.59064926e-04 1.62886697e-04 -1.55204843e-04] [-4.59064923e-04 -1.62886700e-04 1.55204841e-04] [ 4.59064921e-04 1.62886699e-04 1.55204838e-04]] Final stress: [-2.92583813e-05 -4.81887440e-05 -4.84019835e-05 4.83740890e-15 3.21205751e-15 -4.80940012e-15] Minimization converged after 99 steps. Minimization converged after 99 steps. Minimization converged after 81 steps. Minimization converged after 83 steps. Minimization converged after 102 steps. Minimization converged after 107 steps. Minimization converged after 111 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 79 steps. Final forces: [[ 0.01924719 -0.0084579 -0.01627285] [-0.01074467 -0.00175293 -0.00452268] [-0.01924719 -0.0084579 0.01627285] [ 0.01074467 -0.00175293 0.00452268] [ 0.00480926 -0.01286928 -0.01217236] [ 0.00176298 0.00999744 0.00133617] [-0.00480926 -0.01286928 0.01217236] [-0.00176298 0.00999744 -0.00133617] [ 0.01606066 0.01779031 0.00909643] [ 0.00183494 -0.00281087 -0.00547235] [-0.00183494 -0.00281087 0.00547235] [-0.01606066 0.01779031 -0.00909643] [-0.00675882 -0.00237047 0.00742813] [ 0.00675881 -0.00237046 -0.00742814] [ 0.00057895 -0.0020105 0.00975859] [-0.00057895 -0.0020105 -0.00975859] [ 0.00373233 -0.00332537 0.00822596] [ 0.00145365 0.00557624 0.01072433] [-0.00373233 -0.00332537 -0.00822596] [-0.00145365 0.00557624 -0.01072432] [-0.00042328 0.01035283 -0.00809819] [-0.00123566 -0.01011951 0.01385475] [ 0.00042328 0.01035283 0.00809819] [ 0.00123566 -0.01011951 -0.01385475]] Final stress: [ 3.59631502e-03 1.21026143e-02 3.69314885e-03 -4.39895388e-13 9.49376140e-06 -2.92420810e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 61 steps. Final forces: [[-0.06624725 -0.09494845 0.00208902] [ 0.06624723 0.09494843 0.00208904] [-0.02702327 -0.04570762 -0.02284723] [ 0.02702332 0.04570757 -0.02284729] [-0.02472643 0.01283764 0.05576849] [ 0.02472645 -0.01283763 0.05576849] [ 0.06353244 -0.09206622 0.0019869 ] [-0.06353246 0.09206621 0.00198687] [-0.01699378 -0.15553809 -0.06257048] [-0.00935547 -0.01508433 0.11680732] [ 0.01699375 0.15553808 -0.06257046] [ 0.00935546 0.01508434 0.11680728] [-0.09379978 0.0194961 -0.11339138] [ 0.03076524 -0.044855 0.00455417] [-0.03076529 0.04485503 0.00455421] [ 0.09379982 -0.01949606 -0.11339142] [ 0.05790723 0.0865753 -0.03047236] [-0.05790716 -0.0865753 -0.03047232] [ 0.03307744 0.03465954 0.03855426] [-0.0330775 -0.03465956 0.0385543 ] [-0.00477461 -0.11666557 -0.04333447] [ 0.00477461 0.11666557 -0.04333453] [ 0.00490412 0.00934787 0.05285577] [-0.00490412 -0.00934783 0.05285581]] Final stress: [ 5.25415567e-03 3.30790909e-03 9.58788923e-03 3.77219236e-11 -3.90191504e-11 -2.23248219e-04] Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 4.40293609e-03 -2.02235829e-03 3.93019501e-03] [-4.40293608e-03 2.02235830e-03 3.93019501e-03] [ 1.31057744e-03 -2.73258026e-03 -2.43478635e-03] [-1.31057744e-03 2.73258027e-03 -2.43478635e-03] [-1.10832649e-03 3.72471953e-03 -2.87749497e-03] [ 1.10832649e-03 -3.72471952e-03 -2.87749497e-03] [ 5.11881985e-03 3.80706407e-04 -4.01143890e-03] [-5.11881985e-03 -3.80706410e-04 -4.01143890e-03] [-2.86149094e-04 -1.76613473e-04 2.50354924e-04] [ 1.35288309e-03 -1.98475599e-03 3.06088758e-03] [ 2.86149095e-04 1.76613472e-04 2.50354928e-04] [-1.35288309e-03 1.98475600e-03 3.06088758e-03] [-2.42581736e-03 -1.39417360e-03 -1.93054478e-03] [-1.48487414e-03 -7.69736679e-04 -1.00880412e-03] [ 1.48487414e-03 7.69736676e-04 -1.00880413e-03] [ 2.42581734e-03 1.39417359e-03 -1.93054478e-03] [ 5.98224721e-03 2.01574874e-03 1.85589904e-03] [-5.98224721e-03 -2.01574874e-03 1.85589905e-03] [ 8.48956234e-05 9.58857627e-05 -1.06188697e-03] [-8.48956135e-05 -9.58857611e-05 -1.06188696e-03] [-5.38862733e-04 -2.56270093e-03 2.40100020e-03] [ 5.38862740e-04 2.56270093e-03 2.40100021e-03] [ 4.53978745e-04 2.19582472e-03 1.82661933e-03] [-4.53978753e-04 -2.19582472e-03 1.82661932e-03]] Final stress: [-1.11020386e-04 -1.40769140e-05 -1.08259367e-04 -1.02338930e-16 2.31112079e-14 -1.32318986e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00956302 -0.01301692 0.00360072] [ 0.00956302 0.01301692 0.00360072] [-0.01726136 -0.00243008 -0.01144498] [ 0.01726136 0.00243008 -0.01144498] [-0.01961294 -0.00088925 0.01169427] [ 0.01961294 0.00088925 0.01169427] [ 0.01133177 0.00204691 0.00308816] [-0.01133177 -0.00204691 0.00308816] [ 0.00393954 0.00720672 -0.01366953] [ 0.00624866 0.00011082 0.00467319] [-0.00393954 -0.00720672 -0.01366953] [-0.00624866 -0.00011082 0.00467319] [-0.00216739 0.00448757 0.00160455] [-0.00214272 0.00475083 -0.00152838] [ 0.00214272 -0.00475083 -0.00152838] [ 0.00216739 -0.00448757 0.00160455] [-0.01126687 0.00411936 0.0043341 ] [ 0.01126687 -0.00411936 0.0043341 ] [-0.01771035 -0.00116439 0.00241895] [ 0.01771035 0.00116439 0.00241895] [ 0.00838778 0.00753804 0.00096181] [-0.00838778 -0.00753804 0.00096181] [-0.00632486 -0.0038815 -0.00573286] [ 0.00632486 0.0038815 -0.00573286]] Final stress: [ 5.27389934e-06 4.73691302e-04 -3.87661946e-07 2.36615926e-14 -2.27540973e-15 4.92108972e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 6.21853976e-05 2.22079233e-04 -3.58653838e-05] [-6.21854005e-05 -2.22079236e-04 -3.58653808e-05] [-6.21853975e-05 2.22079234e-04 3.58653832e-05] [ 6.21853990e-05 -2.22079234e-04 3.58653824e-05] [-1.02416124e-03 -7.88868810e-05 1.96918456e-04] [ 1.02416124e-03 7.88868774e-05 1.96918464e-04] [ 1.02416123e-03 -7.88868752e-05 -1.96918464e-04] [-1.02416124e-03 7.88868788e-05 -1.96918463e-04] [ 2.40909609e-04 -9.08736177e-05 3.25169968e-04] [ 2.40909611e-04 9.08736153e-05 -3.25169971e-04] [-2.40909611e-04 9.08736176e-05 3.25169966e-04] [-2.40909605e-04 -9.08736193e-05 -3.25169964e-04] [ 8.79940978e-04 -3.07358787e-04 -3.83318812e-04] [-8.79940979e-04 -3.07358787e-04 3.83318811e-04] [ 8.79940973e-04 3.07358790e-04 3.83318815e-04] [-8.79940967e-04 3.07358794e-04 -3.83318819e-04] [ 2.58074680e-04 -7.05766684e-04 5.92243419e-04] [-2.58074673e-04 7.05766681e-04 5.92243417e-04] [-2.58074681e-04 -7.05766683e-04 -5.92243409e-04] [ 2.58074671e-04 7.05766681e-04 -5.92243421e-04] [-4.06634004e-04 -1.93703576e-04 4.65550029e-04] [ 4.06633998e-04 1.93703576e-04 4.65550027e-04] [ 4.06633997e-04 -1.93703575e-04 -4.65550029e-04] [-4.06633993e-04 1.93703577e-04 -4.65550022e-04]] Final stress: [ 1.93058092e-05 1.81599064e-05 6.93884781e-05 -7.37766717e-15 -1.47702621e-14 -3.46010041e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 1.27639786e-05 -1.81459455e-04 1.81015572e-04] [-1.27639748e-05 1.81459458e-04 1.81015568e-04] [-1.27639766e-05 -1.81459457e-04 -1.81015569e-04] [ 1.27639754e-05 1.81459457e-04 -1.81015569e-04] [ 1.39595820e-03 2.68459038e-04 -7.14854534e-05] [-1.39595820e-03 -2.68459037e-04 -7.14854574e-05] [-1.39595820e-03 2.68459042e-04 7.14854517e-05] [ 1.39595820e-03 -2.68459039e-04 7.14854563e-05] [-1.84984861e-04 2.63523955e-04 -1.53449291e-04] [-1.84984863e-04 -2.63523955e-04 1.53449290e-04] [ 1.84984860e-04 -2.63523958e-04 -1.53449285e-04] [ 1.84984858e-04 2.63523959e-04 1.53449285e-04] [-1.05054243e-03 2.28937866e-04 4.71916017e-04] [ 1.05054243e-03 2.28937860e-04 -4.71916015e-04] [-1.05054242e-03 -2.28937869e-04 -4.71916022e-04] [ 1.05054242e-03 -2.28937865e-04 4.71916020e-04] [-2.11072056e-04 7.49536747e-04 -7.01866740e-04] [ 2.11072051e-04 -7.49536742e-04 -7.01866741e-04] [ 2.11072057e-04 7.49536746e-04 7.01866738e-04] [-2.11072051e-04 -7.49536749e-04 7.01866744e-04] [ 4.36003426e-04 8.35185903e-05 -4.23681199e-04] [-4.36003423e-04 -8.35185976e-05 -4.23681195e-04] [-4.36003429e-04 8.35185952e-05 4.23681202e-04] [ 4.36003423e-04 -8.35185897e-05 4.23681192e-04]] Final stress: [-1.97705520e-05 -2.06997772e-05 -6.63081876e-05 9.86759211e-15 1.43151996e-14 3.77986183e-15] Minimization converged after 104 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 5.76374317e-03 7.32191906e-03 -1.88827500e-03] [-3.18895280e-03 3.62644207e-03 -5.24807856e-03] [-3.18895280e-03 -3.62644207e-03 5.24807856e-03] [ 5.76374317e-03 -7.32191906e-03 1.88827500e-03] [-5.82353550e-04 -1.78311911e-03 1.42561940e-03] [-9.69792903e-04 2.75277070e-05 5.54098200e-04] [-9.69792897e-04 -2.75277159e-05 -5.54098202e-04] [-5.82353553e-04 1.78311912e-03 -1.42561939e-03] [-1.66946305e-03 -3.84781220e-03 2.35582741e-03] [-1.66946305e-03 3.84781221e-03 -2.35582741e-03] [-5.38919409e-03 8.74737973e-03 -9.25363343e-05] [-5.38919410e-03 -8.74737973e-03 9.25363392e-05] [-1.39646354e-03 1.39612305e-03 -8.21007616e-04] [ 5.52123797e-03 1.92829573e-03 -3.32726590e-03] [-1.39646353e-03 -1.39612306e-03 8.21007606e-04] [ 5.52123796e-03 -1.92829573e-03 3.32726590e-03] [ 1.42727901e-04 7.70831079e-03 3.05954451e-04] [-2.56243256e-03 2.70041635e-03 2.24685971e-03] [-2.56243255e-03 -2.70041635e-03 -2.24685972e-03] [ 1.42727914e-04 -7.70831078e-03 -3.05954447e-04] [ 3.00873751e-03 8.95836907e-04 -1.67230433e-03] [ 1.32220594e-03 -2.34218925e-03 2.81038732e-03] [ 1.32220593e-03 2.34218925e-03 -2.81038731e-03] [ 3.00873750e-03 -8.95836906e-04 1.67230431e-03]] Final stress: [-6.44552089e-05 -7.06110994e-05 1.19666481e-04 -2.21025603e-04 2.62985792e-14 -1.80692430e-14] Minimization converged after 81 steps. Minimization converged after 101 steps. Minimization converged after 97 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 0.00668943 -0.00084729 0.0003257 ] [-0.00666153 -0.00383956 -0.01172599] [-0.00668943 -0.00084729 -0.0003257 ] [ 0.00666153 -0.00383956 0.01172599] [-0.0017438 0.00393283 0.00311558] [-0.00505734 0.00681756 -0.00031053] [ 0.0017438 0.00393283 -0.00311558] [ 0.00505734 0.00681756 0.00031053] [ 0.00669883 -0.01180817 -0.00030904] [ 0.00089565 0.00682076 -0.00480152] [-0.00089565 0.00682076 0.00480152] [-0.00669883 -0.01180817 0.00030904] [ 0.00061604 -0.00203734 0.00843042] [-0.00061604 -0.00203734 -0.00843042] [-0.00920939 -0.00466483 0.00660491] [ 0.00920939 -0.00466483 -0.00660491] [-0.00039656 0.00065763 0.00777494] [-0.00668096 -0.00537536 -0.0050778 ] [ 0.00039656 0.00065763 -0.00777494] [ 0.00668096 -0.00537536 0.0050778 ] [-0.00073771 0.00810977 0.00338407] [-0.00308511 0.00223401 -0.00241591] [ 0.00073771 0.00810977 -0.00338407] [ 0.00308511 0.00223401 0.00241591]] Final stress: [-1.07265996e-04 -9.62522723e-05 2.40956379e-04 4.58227836e-15 -3.32349924e-04 -1.68501057e-16] Minimization converged after 83 steps. Minimization converged after 101 steps. Minimization converged after 106 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 75 steps. Final forces: [[ 0.00117 0.00364185 0.0041093 ] [-0.00116999 -0.00364184 0.00410928] [ 0.00781314 0.00847917 0.00095082] [-0.00781314 -0.00847917 0.00095083] [-0.0025941 0.00261056 -0.00358662] [ 0.0025941 -0.00261055 -0.00358663] [-0.00210449 0.00066511 0.00244829] [ 0.00210449 -0.00066511 0.00244829] [ 0.00360649 0.00140656 0.00216945] [-0.0078287 -0.00157376 0.00251419] [-0.0036065 -0.00140656 0.00216946] [ 0.0078287 0.00157376 0.00251419] [ 0.00221238 0.0034497 -0.00159443] [-0.0039634 0.01049855 -0.00284977] [ 0.0039634 -0.01049855 -0.00284978] [-0.0022124 -0.00344971 -0.00159441] [-0.00169804 -0.0012268 -0.00994832] [ 0.00169803 0.0012268 -0.00994831] [ 0.00025407 -0.00266804 0.01131721] [-0.00025406 0.00266804 0.01131722] [ 0.0044104 0.00519505 0.00522921] [-0.0044104 -0.00519506 0.00522923] [ 0.00243561 0.00666891 -0.01075935] [-0.00243561 -0.00666891 -0.01075937]] Final stress: [ 3.61809126e-03 3.62731818e-03 1.21555514e-02 7.11012750e-12 1.84793109e-11 -1.51180100e-06] Minimization converged after 107 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 30 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 29 steps. Minimization converged after 27 steps. Minimization converged after 34 steps. Minimization converged after 31 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 29 steps. Minimization converged after 32 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-1.09348069e-04 -1.37481596e-05 1.06088013e-04] [ 1.09348070e-04 1.37481603e-05 1.06088012e-04] [ 1.09348071e-04 -1.37481610e-05 -1.06088012e-04] [-1.09348072e-04 1.37481615e-05 -1.06088012e-04] [-2.85183284e-04 6.59342809e-04 -1.65965444e-04] [ 2.85183281e-04 -6.59342814e-04 -1.65965441e-04] [ 2.85183279e-04 6.59342817e-04 1.65965439e-04] [-2.85183282e-04 -6.59342813e-04 1.65965442e-04] [ 3.32918028e-05 -8.29979860e-04 -1.12402307e-04] [ 3.32917984e-05 8.29979861e-04 1.12402309e-04] [-3.32918019e-05 8.29979860e-04 -1.12402308e-04] [-3.32918023e-05 -8.29979859e-04 1.12402307e-04] [ 2.16276157e-04 1.62193074e-04 -9.49137874e-05] [-2.16276157e-04 1.62193071e-04 9.49137875e-05] [ 2.16276162e-04 -1.62193075e-04 9.49137853e-05] [-2.16276159e-04 -1.62193073e-04 -9.49137867e-05] [ 4.21657449e-04 1.83124652e-04 -4.72914547e-04] [-4.21657452e-04 -1.83124651e-04 -4.72914550e-04] [-4.21657447e-04 1.83124654e-04 4.72914550e-04] [ 4.21657452e-04 -1.83124654e-04 4.72914548e-04] [ 3.35835969e-04 -2.97959236e-04 -7.82920718e-05] [-3.35835965e-04 2.97959231e-04 -7.82920706e-05] [-3.35835972e-04 -2.97959233e-04 7.82920712e-05] [ 3.35835971e-04 2.97959237e-04 7.82920716e-05]] Final stress: [ 4.01039435e-05 1.22185446e-05 1.18543459e-05 -2.16007950e-15 3.99242071e-15 4.98292336e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.82711949e-03 1.29625884e-03 9.37098636e-04] [-1.82711949e-03 -1.29625883e-03 9.37098632e-04] [-1.82711949e-03 1.29625883e-03 -9.37098633e-04] [ 1.82711948e-03 -1.29625883e-03 -9.37098632e-04] [ 7.69755202e-04 -2.36816894e-03 1.00676793e-03] [-7.69755199e-04 2.36816894e-03 1.00676792e-03] [-7.69755202e-04 -2.36816894e-03 -1.00676793e-03] [ 7.69755202e-04 2.36816894e-03 -1.00676793e-03] [ 4.74981468e-04 2.83910656e-03 4.04927034e-04] [ 4.74981465e-04 -2.83910656e-03 -4.04927037e-04] [-4.74981468e-04 -2.83910656e-03 4.04927040e-04] [-4.74981466e-04 2.83910656e-03 -4.04927036e-04] [-9.54216728e-04 -1.03933613e-04 3.64103238e-04] [ 9.54216725e-04 -1.03933615e-04 -3.64103240e-04] [-9.54216719e-04 1.03933610e-04 -3.64103244e-04] [ 9.54216719e-04 1.03933608e-04 3.64103244e-04] [-1.53534262e-03 -3.74267072e-04 1.70659065e-03] [ 1.53534262e-03 3.74267077e-04 1.70659066e-03] [ 1.53534262e-03 -3.74267069e-04 -1.70659066e-03] [-1.53534262e-03 3.74267070e-04 -1.70659065e-03] [-1.80224497e-03 1.85838105e-04 -9.44198965e-05] [ 1.80224498e-03 -1.85838107e-04 -9.44198885e-05] [ 1.80224497e-03 1.85838105e-04 9.44198971e-05] [-1.80224497e-03 -1.85838104e-04 9.44198880e-05]] Final stress: [ 6.86023332e-06 -2.51942526e-06 -2.76638825e-06 6.79524085e-15 9.18686067e-15 4.53981484e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.49957918e-05 6.23284199e-05 -5.31801032e-05] [-1.49957929e-05 -6.23284201e-05 -5.31801024e-05] [-1.49957903e-05 6.23284179e-05 5.31801048e-05] [ 1.49957927e-05 -6.23284202e-05 5.31801024e-05] [-8.27601964e-05 5.45531243e-04 2.58554163e-05] [ 8.27601934e-05 -5.45531250e-04 2.58554216e-05] [ 8.27601913e-05 5.45531253e-04 -2.58554207e-05] [-8.27601927e-05 -5.45531251e-04 -2.58554227e-05] [-1.15043524e-04 -2.32181807e-04 1.67247915e-04] [-1.15043522e-04 2.32181805e-04 -1.67247916e-04] [ 1.15043521e-04 2.32181805e-04 1.67247917e-04] [ 1.15043525e-04 -2.32181807e-04 -1.67247915e-04] [-1.54466948e-04 2.14239702e-04 -3.81341242e-04] [ 1.54466950e-04 2.14239698e-04 3.81341243e-04] [-1.54466953e-04 -2.14239700e-04 3.81341246e-04] [ 1.54466956e-04 -2.14239697e-04 -3.81341247e-04] [-6.11943885e-05 3.76571791e-04 -3.06841653e-04] [ 6.11943926e-05 -3.76571790e-04 -3.06841649e-04] [ 6.11943873e-05 3.76571794e-04 3.06841656e-04] [-6.11943951e-05 -3.76571794e-04 3.06841650e-04] [ 1.53456283e-04 -6.99150614e-05 -3.58690264e-04] [-1.53456286e-04 6.99150593e-05 -3.58690268e-04] [-1.53456285e-04 -6.99150596e-05 3.58690264e-04] [ 1.53456290e-04 6.99150681e-05 3.58690268e-04]] Final stress: [ 2.92603062e-05 2.91755092e-05 2.07306252e-05 5.83298001e-15 -1.24240625e-14 4.69102229e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.01474892 -0.02375437 0.01112555] [-0.01474892 0.02375437 0.01112555] [-0.01474892 -0.02375437 -0.01112555] [ 0.01474892 0.02375437 -0.01112555] [-0.01848155 -0.00421833 0.00643265] [ 0.01848155 0.00421833 0.00643265] [ 0.01848155 -0.00421833 -0.00643265] [-0.01848155 0.00421833 -0.00643265] [-0.00084213 0.01235712 0.01952598] [-0.00084213 -0.01235712 -0.01952598] [ 0.00084213 -0.01235712 0.01952598] [ 0.00084213 0.01235712 -0.01952598] [-0.01600038 -0.00336931 0.00734141] [ 0.01600038 -0.00336931 -0.00734141] [-0.01600038 0.00336931 -0.00734141] [ 0.01600038 0.00336931 0.00734141] [ 0.00376575 -0.01199521 0.00730269] [-0.00376575 0.01199521 0.00730269] [-0.00376575 -0.01199521 -0.00730269] [ 0.00376575 0.01199521 -0.00730269] [ 0.01171523 0.01520815 -0.02489781] [-0.01171523 -0.01520815 -0.02489781] [-0.01171523 0.01520815 0.02489781] [ 0.01171523 -0.01520815 0.02489781]] Final stress: [-2.92520298e-04 3.55606152e-04 4.51102856e-05 -4.95661613e-14 3.41760828e-14 -4.40281489e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.01125721 0.0221651 -0.00927855] [ 0.01125721 -0.0221651 -0.00927855] [ 0.01125721 0.0221651 0.00927855] [-0.01125721 -0.0221651 0.00927855] [ 0.01837849 0.00323168 -0.0037851 ] [-0.01837849 -0.00323168 -0.0037851 ] [-0.01837849 0.00323168 0.0037851 ] [ 0.01837849 -0.00323168 0.0037851 ] [ 0.00078609 -0.00913597 -0.01775081] [ 0.00078609 0.00913597 0.01775081] [-0.00078609 0.00913597 -0.01775081] [-0.00078609 -0.00913597 0.01775081] [ 0.01407174 0.00460053 -0.00820656] [-0.01407174 0.00460053 0.00820655] [ 0.01407174 -0.00460053 0.00820656] [-0.01407174 -0.00460053 -0.00820656] [-0.00484714 0.01076916 -0.00674412] [ 0.00484714 -0.01076916 -0.00674412] [ 0.00484714 0.01076916 0.00674412] [-0.00484714 -0.01076916 0.00674412] [-0.00997575 -0.01356087 0.02519005] [ 0.00997575 0.01356087 0.02519005] [ 0.00997575 -0.01356087 -0.02519005] [-0.00997575 0.01356087 -0.02519005]] Final stress: [ 3.00024996e-04 -2.53468410e-04 3.51172556e-05 2.73242145e-15 -4.23916764e-14 1.29206649e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-2.40197212e-05 -6.60607106e-05 3.95226583e-05] [ 2.40197222e-05 6.60607111e-05 3.95226575e-05] [ 2.40197222e-05 -6.60607114e-05 -3.95226575e-05] [-2.40197225e-05 6.60607117e-05 -3.95226571e-05] [ 9.13030301e-05 -5.36654119e-04 -1.03933773e-05] [-9.13030310e-05 5.36654118e-04 -1.03933768e-05] [-9.13030322e-05 -5.36654115e-04 1.03933754e-05] [ 9.13030315e-05 5.36654117e-04 1.03933775e-05] [ 1.28797837e-04 2.52583398e-04 -1.68815739e-04] [ 1.28797837e-04 -2.52583400e-04 1.68815737e-04] [-1.28797837e-04 -2.52583400e-04 -1.68815737e-04] [-1.28797839e-04 2.52583401e-04 1.68815737e-04] [ 1.45423876e-04 -2.08875030e-04 3.82461312e-04] [-1.45423878e-04 -2.08875031e-04 -3.82461312e-04] [ 1.45423882e-04 2.08875028e-04 -3.82461314e-04] [-1.45423879e-04 2.08875028e-04 3.82461313e-04] [ 7.82704068e-05 -3.78429692e-04 2.96475259e-04] [-7.82704093e-05 3.78429695e-04 2.96475258e-04] [-7.82704078e-05 -3.78429690e-04 -2.96475257e-04] [ 7.82704117e-05 3.78429693e-04 -2.96475257e-04] [-1.29172518e-04 1.02951886e-04 3.85666014e-04] [ 1.29172521e-04 -1.02951887e-04 3.85666016e-04] [ 1.29172515e-04 1.02951886e-04 -3.85666012e-04] [-1.29172517e-04 -1.02951884e-04 -3.85666016e-04]] Final stress: [-2.87413228e-05 -2.88295097e-05 -2.00647275e-05 1.38159176e-15 3.91097706e-16 8.08338530e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 6.24884736e-05 -5.33071515e-05 1.50294528e-05] [-6.24884745e-05 5.33071501e-05 1.50294543e-05] [-6.24884731e-05 -5.33071514e-05 -1.50294535e-05] [ 6.24884704e-05 5.33071543e-05 -1.50294502e-05] [-2.31830747e-04 1.67028949e-04 -1.15086609e-04] [ 2.31830745e-04 -1.67028952e-04 -1.15086606e-04] [ 2.31830743e-04 1.67028954e-04 1.15086606e-04] [-2.31830744e-04 -1.67028952e-04 1.15086610e-04] [ 2.14382000e-04 -3.81195923e-04 -1.54682237e-04] [ 2.14381991e-04 3.81195929e-04 1.54682246e-04] [-2.14381997e-04 3.81195927e-04 -1.54682243e-04] [-2.14381991e-04 -3.81195930e-04 1.54682249e-04] [ 5.45500679e-04 2.57574837e-05 -8.27266654e-05] [-5.45500680e-04 2.57574847e-05 8.27266661e-05] [ 5.45500681e-04 -2.57574830e-05 8.27266650e-05] [-5.45500681e-04 -2.57574852e-05 -8.27266644e-05] [ 3.76502136e-04 -3.06916700e-04 -6.12197158e-05] [-3.76502138e-04 3.06916697e-04 -6.12197236e-05] [-3.76502129e-04 -3.06916697e-04 6.12197171e-05] [ 3.76502133e-04 3.06916698e-04 6.12197120e-05] [-6.96653333e-05 -3.58564134e-04 1.53597916e-04] [ 6.96653363e-05 3.58564135e-04 1.53597920e-04] [ 6.96653292e-05 -3.58564139e-04 -1.53597924e-04] [-6.96653273e-05 3.58564135e-04 -1.53597922e-04]] Final stress: [ 2.91772144e-05 2.07333914e-05 2.92620232e-05 -9.53408001e-15 4.40582996e-15 1.48104767e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.0221199 -0.00926654 -0.01123088] [-0.0221199 0.00926654 -0.01123088] [-0.0221199 -0.00926654 0.01123088] [ 0.0221199 0.00926654 0.01123088] [-0.00910681 -0.01770397 0.00078653] [ 0.00910681 0.01770397 0.00078653] [ 0.00910681 -0.01770397 -0.00078653] [-0.00910681 0.01770397 -0.00078653] [ 0.00458283 -0.00821604 0.01402915] [ 0.00458283 0.00821604 -0.01402915] [-0.00458283 0.00821604 0.01402916] [-0.00458283 -0.00821604 -0.01402915] [ 0.00323147 -0.00377703 0.01835676] [-0.00323147 -0.00377703 -0.01835676] [ 0.00323147 0.00377703 -0.01835676] [-0.00323147 0.00377703 0.01835676] [ 0.01075092 -0.00674076 -0.00482874] [-0.01075092 0.00674076 -0.00482874] [-0.01075092 -0.00674076 0.00482874] [ 0.01075092 0.00674076 0.00482874] [-0.01354248 0.02517131 -0.00998201] [ 0.01354248 -0.02517131 -0.00998201] [ 0.01354248 0.02517131 0.00998201] [-0.01354248 -0.02517131 0.00998201]] Final stress: [-2.53207375e-04 3.49336338e-05 2.99498715e-04 2.97476344e-14 1.63570556e-14 -3.00415061e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.02374766 0.0111118 0.01475501] [ 0.02374766 -0.0111118 0.01475501] [ 0.02374766 0.0111118 -0.01475501] [-0.02374766 -0.0111118 -0.01475501] [ 0.01235735 0.01951713 -0.0008577 ] [-0.01235735 -0.01951713 -0.0008577 ] [-0.01235735 0.01951713 0.0008577 ] [ 0.01235735 -0.01951713 0.0008577 ] [-0.0033538 0.00730924 -0.0159905 ] [-0.0033538 -0.00730924 0.0159905 ] [ 0.0033538 -0.00730924 -0.0159905 ] [ 0.0033538 0.00730924 0.0159905 ] [-0.0042179 0.00643158 -0.01845083] [ 0.0042179 0.00643158 0.01845083] [-0.0042179 -0.00643158 0.01845083] [ 0.0042179 -0.00643158 -0.01845083] [-0.01198795 0.00729514 0.00376919] [ 0.01198795 -0.00729514 0.00376919] [ 0.01198795 0.00729514 -0.00376919] [-0.01198795 -0.00729514 -0.00376919] [ 0.01518745 -0.02485559 0.011692 ] [-0.01518745 0.02485559 0.011692 ] [-0.01518745 -0.02485559 -0.011692 ] [ 0.01518745 0.02485559 -0.011692 ]] Final stress: [ 3.55561056e-04 4.50446541e-05 -2.92593474e-04 3.54064040e-14 -4.78178399e-14 -2.06716028e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-6.65577052e-05 3.95305126e-05 -2.43072713e-05] [ 6.65577058e-05 -3.95305114e-05 -2.43072716e-05] [ 6.65577045e-05 3.95305129e-05 2.43072712e-05] [-6.65577023e-05 -3.95305149e-05 2.43072685e-05] [ 2.51968933e-04 -1.68638592e-04 1.28831061e-04] [-2.51968936e-04 1.68638587e-04 1.28831067e-04] [-2.51968932e-04 -1.68638593e-04 -1.28831060e-04] [ 2.51968933e-04 1.68638593e-04 -1.28831062e-04] [-2.09146531e-04 3.82134424e-04 1.45680670e-04] [-2.09146531e-04 -3.82134422e-04 -1.45680667e-04] [ 2.09146528e-04 -3.82134425e-04 1.45680672e-04] [ 2.09146530e-04 3.82134424e-04 -1.45680669e-04] [-5.36663041e-04 -1.00786226e-05 9.12562011e-05] [ 5.36663044e-04 -1.00786244e-05 -9.12561989e-05] [-5.36663044e-04 1.00786236e-05 -9.12561985e-05] [ 5.36663045e-04 1.00786275e-05 9.12561978e-05] [-3.78189968e-04 2.96590469e-04 7.84288783e-05] [ 3.78189969e-04 -2.96590468e-04 7.84288813e-05] [ 3.78189969e-04 2.96590464e-04 -7.84288813e-05] [-3.78189971e-04 -2.96590465e-04 -7.84288851e-05] [ 1.02864826e-04 3.85642301e-04 -1.29157781e-04] [-1.02864828e-04 -3.85642304e-04 -1.29157786e-04] [-1.02864822e-04 3.85642307e-04 1.29157781e-04] [ 1.02864824e-04 -3.85642301e-04 1.29157783e-04]] Final stress: [-2.88317046e-05 -2.00655156e-05 -2.87434630e-05 4.48123679e-15 -6.59973098e-15 9.48644165e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 2.49116206e-03 3.08531435e-04 9.73963177e-05] [-2.49906166e-03 6.40249712e-03 -2.00809328e-03] [-2.49906166e-03 -6.40249712e-03 2.00809328e-03] [ 2.49116206e-03 -3.08531437e-04 -9.73963180e-05] [-2.00115001e-03 2.27340051e-04 1.51999661e-03] [ 6.04553329e-05 -1.73844217e-03 -1.16047703e-04] [ 6.04553323e-05 1.73844216e-03 1.16047705e-04] [-2.00115001e-03 -2.27340047e-04 -1.51999661e-03] [-1.02571619e-03 1.89645490e-03 1.14083433e-03] [-1.02571619e-03 -1.89645489e-03 -1.14083433e-03] [-2.26999711e-03 3.62598931e-03 -2.05152358e-03] [-2.26999712e-03 -3.62598931e-03 2.05152358e-03] [ 1.51672807e-04 8.90493653e-04 2.39977737e-03] [ 3.86107000e-03 9.85589279e-05 -5.43398153e-03] [ 1.51672805e-04 -8.90493654e-04 -2.39977737e-03] [ 3.86107000e-03 -9.85589257e-05 5.43398153e-03] [-3.31556451e-03 1.35343447e-03 -3.35124470e-03] [ 1.64846813e-04 4.92332005e-03 -6.15898153e-04] [ 1.64846810e-04 -4.92332006e-03 6.15898155e-04] [-3.31556451e-03 -1.35343447e-03 3.35124470e-03] [ 3.17688937e-03 1.46566950e-03 -1.24677184e-03] [ 1.20539311e-03 -3.58036998e-04 1.64300600e-03] [ 1.20539311e-03 3.58036999e-04 -1.64300601e-03] [ 3.17688937e-03 -1.46566950e-03 1.24677184e-03]] Final stress: [ 6.91282186e-06 1.44854195e-04 1.38843526e-04 -1.41902537e-04 1.03876887e-14 -9.26111100e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 2.49951706e-03 -6.40013519e-03 -2.00876016e-03] [-2.49790865e-03 -3.15806698e-04 1.06645958e-04] [-2.49790865e-03 3.15806695e-04 -1.06645955e-04] [ 2.49951706e-03 6.40013519e-03 2.00876016e-03] [-6.29018856e-05 1.73218653e-03 -1.21693578e-04] [ 1.99861951e-03 -2.32305078e-04 1.52873346e-03] [ 1.99861951e-03 2.32305080e-04 -1.52873346e-03] [-6.29018833e-05 -1.73218653e-03 1.21693579e-04] [ 2.25351113e-03 -3.63478517e-03 -2.06599863e-03] [ 2.25351113e-03 3.63478517e-03 2.06599864e-03] [ 1.01329839e-03 -1.89956783e-03 1.14483284e-03] [ 1.01329839e-03 1.89956783e-03 -1.14483283e-03] [-3.85787666e-03 1.01134929e-04 5.43825039e-03] [-1.56497494e-04 8.91558641e-04 -2.40110341e-03] [-3.85787666e-03 -1.01134927e-04 -5.43825039e-03] [-1.56497494e-04 -8.91558635e-04 2.40110341e-03] [-1.55271692e-04 -4.92130946e-03 -6.02978982e-04] [ 3.33624473e-03 -1.34891586e-03 -3.35009778e-03] [ 3.33624473e-03 1.34891586e-03 3.35009778e-03] [-1.55271696e-04 4.92130946e-03 6.02978985e-04] [-1.20125966e-03 3.59952856e-04 1.64251019e-03] [-3.16947478e-03 -1.46922907e-03 -1.26227972e-03] [-3.16947478e-03 1.46922907e-03 1.26227972e-03] [-1.20125966e-03 -3.59952861e-04 -1.64251020e-03]] Final stress: [ 6.90326656e-06 1.44832361e-04 1.38823923e-04 1.41777155e-04 -2.17176977e-15 -8.12351199e-15] Minimization converged after 96 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 5.47341100e-03 -4.39497809e-03 2.86977807e-03] [-3.88391192e-04 3.69387459e-03 -4.15297213e-03] [-5.47341100e-03 -4.39497809e-03 -2.86977807e-03] [ 3.88391192e-04 3.69387459e-03 4.15297213e-03] [-2.96832054e-03 3.27807803e-03 1.15352758e-03] [-1.16520573e-03 1.80455827e-03 -1.26708499e-03] [ 2.96832054e-03 3.27807803e-03 -1.15352758e-03] [ 1.16520573e-03 1.80455828e-03 1.26708499e-03] [ 1.18753400e-03 -1.00853306e-03 2.47416557e-03] [-3.01826676e-03 -8.46745269e-04 -1.16704948e-03] [ 3.01826676e-03 -8.46745270e-04 1.16704949e-03] [-1.18753400e-03 -1.00853306e-03 -2.47416557e-03] [ 1.04326773e-04 -3.05474725e-03 9.20729689e-03] [-1.04326774e-04 -3.05474725e-03 -9.20729690e-03] [-2.89898323e-03 -1.17071106e-04 -2.11763962e-03] [ 2.89898323e-03 -1.17071108e-04 2.11763962e-03] [-4.11122888e-03 -3.97957119e-03 1.61221205e-03] [-1.06944379e-03 9.36160778e-04 -5.45215236e-03] [ 4.11122889e-03 -3.97957118e-03 -1.61221205e-03] [ 1.06944379e-03 9.36160779e-04 5.45215235e-03] [-9.86181953e-04 3.62032551e-03 -2.60555830e-04] [-2.11543526e-03 6.86487679e-05 -1.14046196e-03] [ 9.86181956e-04 3.62032552e-03 2.60555829e-04] [ 2.11543526e-03 6.86487708e-05 1.14046196e-03]] Final stress: [-7.19838692e-05 8.34733956e-05 7.94090020e-05 -9.41880058e-15 -1.53324306e-04 1.71228830e-15] Minimization converged after 100 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.06046278e-03 2.88194157e-03 3.51902458e-03] [ 2.35475404e-03 -2.61370531e-03 -1.31310318e-03] [ 1.06046278e-03 2.88194157e-03 -3.51902458e-03] [-2.35475404e-03 -2.61370531e-03 1.31310318e-03] [-1.05891832e-04 -3.49260235e-04 6.45136699e-04] [-1.72907763e-03 2.69424884e-03 7.29965868e-04] [ 1.05891839e-04 -3.49260248e-04 -6.45136692e-04] [ 1.72907762e-03 2.69424886e-03 -7.29965858e-04] [-8.77580336e-05 -6.34260344e-04 -1.47260801e-03] [ 4.86096139e-04 -9.94075317e-04 5.61258281e-05] [-4.86096142e-04 -9.94075322e-04 -5.61258224e-05] [ 8.77580259e-05 -6.34260342e-04 1.47260800e-03] [ 1.61895001e-03 -1.78326066e-03 -1.61179744e-03] [-1.61895001e-03 -1.78326066e-03 1.61179744e-03] [ 3.32058689e-04 -3.65128515e-03 4.60502195e-03] [-3.32058689e-04 -3.65128515e-03 -4.60502195e-03] [ 5.91237778e-04 1.18386344e-03 4.56613949e-03] [-5.56388844e-04 -7.00701156e-04 -9.30523795e-04] [-5.91237782e-04 1.18386342e-03 -4.56613949e-03] [ 5.56388849e-04 -7.00701145e-04 9.30523791e-04] [-1.32215064e-03 2.01655649e-03 2.64928866e-04] [-1.00117357e-03 1.94993783e-03 6.36489347e-05] [ 1.32215066e-03 2.01655650e-03 -2.64928866e-04] [ 1.00117356e-03 1.94993783e-03 -6.36489363e-05]] Final stress: [ 4.56539343e-05 -4.99079689e-05 -5.18035768e-05 1.67486974e-14 -1.16464600e-04 -2.34002042e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-0.01065414 0.00376926 -0.00806802] [ 0.00284963 -0.00898487 0.01389307] [ 0.01065414 0.00376926 0.00806802] [-0.00284963 -0.00898487 -0.01389307] [ 0.00615032 -0.01169225 0.00271866] [-0.00011846 0.00358203 0.00415549] [-0.00615032 -0.01169225 -0.00271866] [ 0.00011846 0.00358203 -0.00415549] [ 0.00314376 0.00120377 -0.00153021] [ 0.00403303 -0.00321215 -0.00327876] [-0.00403303 -0.00321215 0.00327876] [-0.00314376 0.00120377 0.00153021] [-0.0009783 0.00759049 -0.01673832] [ 0.0009783 0.00759049 0.01673832] [ 0.00242727 0.00214164 0.00849123] [-0.00242727 0.00214164 -0.00849123] [ 0.00388564 0.00402196 -0.00903424] [ 0.00109884 0.00275114 0.01441933] [-0.00388564 0.00402196 0.00903424] [-0.00109884 0.00275114 -0.01441933] [ 0.005367 0.00245298 0.00549402] [ 0.00287036 -0.00362399 0.00639015] [-0.005367 0.00245298 -0.00549402] [-0.00287036 -0.00362399 -0.00639015]] Final stress: [ 3.82939334e-04 -4.19313135e-05 -4.48590707e-05 -1.94275421e-14 4.55956236e-04 1.34810633e-14] Minimization converged after 99 steps. Minimization converged after 98 steps. Minimization converged after 80 steps. Minimization converged after 89 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 1.06828724e-04 -1.08231443e-04 -1.27555627e-05] [-1.06828722e-04 1.08231446e-04 -1.27555656e-05] [-1.06828722e-04 -1.08231446e-04 1.27555654e-05] [ 1.06828723e-04 1.08231444e-04 1.27555640e-05] [-9.44817059e-05 2.17825041e-04 1.62434461e-04] [ 9.44817053e-05 -2.17825042e-04 1.62434459e-04] [ 9.44817035e-05 2.17825046e-04 -1.62434462e-04] [-9.44817042e-05 -2.17825044e-04 -1.62434461e-04] [-1.67072748e-04 -2.84457707e-04 6.61464994e-04] [-1.67072747e-04 2.84457705e-04 -6.61464998e-04] [ 1.67072741e-04 2.84457700e-04 6.61465005e-04] [ 1.67072743e-04 -2.84457702e-04 -6.61465001e-04] [-1.12607228e-04 3.29536697e-05 -8.30167984e-04] [ 1.12607230e-04 3.29536638e-05 8.30167985e-04] [-1.12607228e-04 -3.29536692e-05 8.30167984e-04] [ 1.12607227e-04 -3.29536674e-05 -8.30167983e-04] [-4.74233333e-04 4.21845602e-04 1.82992626e-04] [ 4.74233337e-04 -4.21845597e-04 1.82992632e-04] [ 4.74233338e-04 4.21845602e-04 -1.82992630e-04] [-4.74233335e-04 -4.21845604e-04 -1.82992626e-04] [-7.99703355e-05 3.35534433e-04 -2.99874779e-04] [ 7.99703373e-05 -3.35534439e-04 -2.99874778e-04] [ 7.99703363e-05 3.35534438e-04 2.99874782e-04] [-7.99703353e-05 -3.35534429e-04 2.99874775e-04]] Final stress: [ 1.18396547e-05 4.00514911e-05 1.22062224e-05 1.08038217e-14 -8.29982196e-16 4.72429644e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 9.08512756e-04 1.72814347e-03 1.24649975e-03] [-9.08512754e-04 -1.72814346e-03 1.24649974e-03] [-9.08512753e-04 1.72814346e-03 -1.24649974e-03] [ 9.08512755e-04 -1.72814347e-03 -1.24649975e-03] [ 3.06861937e-04 -9.26595151e-04 -6.36518169e-05] [-3.06861937e-04 9.26595150e-04 -6.36518169e-05] [-3.06861940e-04 -9.26595147e-04 6.36518153e-05] [ 3.06861941e-04 9.26595146e-04 6.36518141e-05] [ 9.82879503e-04 6.92403978e-04 -2.25530883e-03] [ 9.82879500e-04 -6.92403977e-04 2.25530883e-03] [-9.82879509e-04 -6.92403984e-04 -2.25530882e-03] [-9.82879504e-04 6.92403982e-04 2.25530882e-03] [ 3.50867651e-04 4.77341190e-04 2.62827329e-03] [-3.50867654e-04 4.77341188e-04 -2.62827329e-03] [ 3.50867655e-04 -4.77341192e-04 -2.62827330e-03] [-3.50867654e-04 -4.77341188e-04 2.62827329e-03] [ 1.61935022e-03 -1.41429247e-03 -3.24819805e-04] [-1.61935022e-03 1.41429247e-03 -3.24819800e-04] [-1.61935021e-03 -1.41429247e-03 3.24819801e-04] [ 1.61935022e-03 1.41429247e-03 3.24819805e-04] [-6.45948074e-05 -1.67320889e-03 1.83040459e-04] [ 6.45948090e-05 1.67320889e-03 1.83040456e-04] [ 6.45948020e-05 -1.67320889e-03 -1.83040456e-04] [-6.45948032e-05 1.67320889e-03 -1.83040461e-04]] Final stress: [-2.73494724e-06 3.75499485e-06 -2.49365235e-06 1.05294840e-14 7.38821445e-15 7.62155427e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-5.32913873e-05 1.49590036e-05 6.23460203e-05] [ 5.32913856e-05 -1.49590046e-05 6.23460212e-05] [ 5.32913863e-05 1.49590045e-05 -6.23460205e-05] [-5.32913853e-05 -1.49590056e-05 -6.23460211e-05] [-3.81284282e-04 -1.54562042e-04 2.14322259e-04] [ 3.81284283e-04 1.54562043e-04 2.14322258e-04] [ 3.81284286e-04 -1.54562048e-04 -2.14322252e-04] [-3.81284287e-04 1.54562052e-04 -2.14322251e-04] [ 2.57630563e-05 -8.27669998e-05 5.45519714e-04] [ 2.57630577e-05 8.27670007e-05 -5.45519713e-04] [-2.57630574e-05 8.27669975e-05 5.45519718e-04] [-2.57630564e-05 -8.27670017e-05 -5.45519711e-04] [ 1.67167249e-04 -1.15056347e-04 -2.32051392e-04] [-1.67167246e-04 -1.15056346e-04 2.32051393e-04] [ 1.67167247e-04 1.15056345e-04 2.32051394e-04] [-1.67167245e-04 1.15056351e-04 -2.32051394e-04] [-3.06854168e-04 -6.11960947e-05 3.76542889e-04] [ 3.06854170e-04 6.11960948e-05 3.76542890e-04] [ 3.06854165e-04 -6.11961037e-05 -3.76542894e-04] [-3.06854169e-04 6.11961014e-05 -3.76542897e-04] [-3.58597983e-04 1.53529893e-04 -6.97630753e-05] [ 3.58597984e-04 -1.53529895e-04 -6.97630756e-05] [ 3.58597987e-04 1.53529899e-04 6.97630727e-05] [-3.58597988e-04 -1.53529896e-04 6.97630698e-05]] Final stress: [ 2.07310608e-05 2.92611127e-05 2.91763136e-05 5.34089924e-15 -1.13305475e-15 -6.18109618e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.01113767 0.01474329 -0.02376005] [-0.01113767 -0.01474329 -0.02376005] [-0.01113767 0.01474329 0.02376005] [ 0.01113767 -0.01474329 0.02376005] [ 0.00737038 -0.01600882 -0.00338389] [-0.00737038 0.01600882 -0.00338389] [-0.00737038 -0.01600882 0.00338389] [ 0.00737038 0.01600882 0.00338389] [ 0.00643319 -0.01850911 -0.00421838] [ 0.00643319 0.01850911 0.00421838] [-0.00643319 0.01850911 -0.00421838] [-0.00643319 -0.01850911 0.00421838] [ 0.01953321 -0.00082715 0.01235676] [-0.01953321 -0.00082715 -0.01235676] [ 0.01953321 0.00082715 -0.01235676] [-0.01953321 0.00082715 0.01235676] [ 0.00730963 0.00376203 -0.0120012 ] [-0.00730963 -0.00376203 -0.0120012 ] [-0.00730963 0.00376203 0.0120012 ] [ 0.00730963 -0.00376203 0.0120012 ] [-0.02493593 0.01173612 0.01522685] [ 0.02493593 -0.01173612 0.01522685] [ 0.02493593 0.01173612 -0.01522685] [-0.02493593 -0.01173612 -0.01522685]] Final stress: [ 4.51677077e-05 -2.92439969e-04 3.55629898e-04 -2.49825476e-14 -2.04188694e-14 2.64535384e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.0092696 -0.01123667 0.0221302 ] [ 0.0092696 0.01123667 0.0221302 ] [ 0.0092696 -0.01123667 -0.0221302 ] [-0.0092696 0.01123667 -0.0221302 ] [-0.00822463 0.01402559 0.00457828] [ 0.00822463 -0.01402559 0.00457828] [ 0.00822463 0.01402559 -0.00457828] [-0.00822463 -0.01402559 -0.00457828] [-0.00377788 0.01836632 0.0032363 ] [-0.00377788 -0.01836632 -0.0032363 ] [ 0.00377788 -0.01836632 0.0032363 ] [ 0.00377788 0.01836632 -0.0032363 ] [-0.01770571 0.00079414 -0.00910701] [ 0.01770571 0.00079414 0.00910701] [-0.01770571 -0.00079414 0.00910701] [ 0.01770571 -0.00079414 -0.00910701] [-0.00675039 -0.00482152 0.01075246] [ 0.00675039 0.00482152 0.01075246] [ 0.00675039 -0.00482152 -0.01075246] [-0.00675039 0.00482152 -0.01075246] [ 0.02518917 -0.00999122 -0.01354951] [-0.02518917 0.00999122 -0.01354951] [-0.02518917 -0.00999122 0.01354951] [ 0.02518917 0.00999122 0.01354951]] Final stress: [ 3.49746162e-05 2.99758185e-04 -2.53400904e-04 -5.97433886e-15 -1.37754003e-14 9.25255081e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 3.95872150e-05 -2.39922463e-05 -6.60573751e-05] [-3.95872147e-05 2.39922462e-05 -6.60573757e-05] [-3.95872160e-05 -2.39922450e-05 6.60573738e-05] [ 3.95872151e-05 2.39922461e-05 6.60573752e-05] [ 3.82424897e-04 1.45468211e-04 -2.08929333e-04] [-3.82424897e-04 -1.45468210e-04 -2.08929335e-04] [-3.82424898e-04 1.45468211e-04 2.08929332e-04] [ 3.82424896e-04 -1.45468209e-04 2.08929337e-04] [-1.03232405e-05 9.13012639e-05 -5.36657767e-04] [-1.03232418e-05 -9.13012643e-05 5.36657766e-04] [ 1.03232397e-05 -9.13012643e-05 -5.36657766e-04] [ 1.03232418e-05 9.13012630e-05 5.36657769e-04] [-1.68787952e-04 1.28799332e-04 2.52527262e-04] [ 1.68787950e-04 1.28799334e-04 -2.52527263e-04] [-1.68787949e-04 -1.28799335e-04 -2.52527265e-04] [ 1.68787947e-04 -1.28799337e-04 2.52527266e-04] [ 2.96438588e-04 7.82386115e-05 -3.78440375e-04] [-2.96438588e-04 -7.82386130e-05 -3.78440379e-04] [-2.96438585e-04 7.82386128e-05 3.78440376e-04] [ 2.96438587e-04 -7.82386105e-05 3.78440377e-04] [ 3.85643247e-04 -1.29167729e-04 1.02891683e-04] [-3.85643243e-04 1.29167731e-04 1.02891690e-04] [-3.85643246e-04 -1.29167731e-04 -1.02891685e-04] [ 3.85643246e-04 1.29167730e-04 -1.02891689e-04]] Final stress: [-2.00641603e-05 -2.87413838e-05 -2.88295720e-05 -2.35220804e-15 6.91106819e-15 7.06521548e-16] Minimization converged after 97 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.00110563 -0.00086254 -0.00367665] [ 0.00034099 -0.00529055 -0.0012377 ] [ 0.00034099 0.00529055 0.0012377 ] [-0.00110563 0.00086254 0.00367665] [ 0.00342218 -0.00072889 -0.00043473] [-0.00213447 0.00253908 0.00050078] [-0.00213447 -0.00253908 -0.00050078] [ 0.00342218 0.00072889 0.00043473] [ 0.00209913 -0.0032302 -0.00031933] [ 0.00209913 0.0032302 0.00031933] [ 0.0018278 -0.00101004 0.00211453] [ 0.0018278 0.00101004 -0.00211453] [-0.00103434 0.00074379 0.00103954] [-0.00167759 0.00056765 0.00155003] [-0.00103434 -0.00074379 -0.00103954] [-0.00167759 -0.00056765 -0.00155003] [-0.00194619 -0.00356844 -0.00057518] [ 0.00273703 -0.00158179 -0.00211746] [ 0.00273703 0.00158179 0.00211746] [-0.00194619 0.00356844 0.00057518] [-0.00065247 0.00124913 0.00236523] [-0.00187643 -0.00025522 -0.00158931] [-0.00187643 0.00025522 0.00158931] [-0.00065247 -0.00124913 -0.00236523]] Final stress: [ 1.01557598e-04 -1.07618675e-06 1.00832659e-04 1.33396376e-04 -2.51121376e-14 -4.48950465e-15] Minimization converged after 77 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 0.00049291 -0.00898814 0.00198476] [-0.00068306 -0.00129145 0.00706826] [-0.00068306 0.00129145 -0.00706826] [ 0.00049291 0.00898814 -0.00198476] [-0.00097519 0.00762567 0.00313678] [ 0.01005579 0.00168395 0.00322253] [ 0.01005579 -0.00168395 -0.00322253] [-0.00097519 -0.00762567 -0.00313678] [ 0.00463308 -0.00382589 -0.00521639] [ 0.00463308 0.00382589 0.00521639] [ 0.00246633 -0.00637739 0.00181397] [ 0.00246633 0.00637739 -0.00181397] [-0.00635362 -0.00160238 0.00220311] [ 0.00123105 0.00113478 0.00337118] [-0.00635362 0.00160238 -0.00220311] [ 0.00123105 -0.00113478 -0.00337118] [ 0.00457664 -0.00171617 0.00454904] [-0.00413331 -0.00341777 0.00064071] [-0.00413331 0.00341777 -0.00064071] [ 0.00457664 0.00171617 -0.00454904] [-0.00581612 0.00248813 0.00483238] [-0.00549449 0.00054773 -0.00374835] [-0.00549449 -0.00054773 0.00374835] [-0.00581612 -0.00248813 -0.00483238]] Final stress: [-6.97292379e-05 9.54091630e-05 -7.08318798e-05 2.16275008e-04 1.51620615e-13 -1.30935303e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.01187628e-04 2.49405123e-03 3.11645045e-04] [ 2.00791348e-03 -2.50001300e-03 -6.40080848e-03] [-1.01187628e-04 2.49405124e-03 -3.11645046e-04] [-2.00791348e-03 -2.50001300e-03 6.40080848e-03] [ 2.40103731e-03 1.54007133e-04 8.91106745e-04] [-5.43604238e-03 3.85934216e-03 1.02066863e-04] [-2.40103731e-03 1.54007133e-04 -8.91106748e-04] [ 5.43604239e-03 3.85934215e-03 -1.02066864e-04] [ 1.52401235e-03 -2.00089243e-03 2.30069391e-04] [-1.17406139e-04 6.15952541e-05 -1.73499139e-03] [ 1.17406144e-04 6.15952594e-05 1.73499138e-03] [-1.52401234e-03 -2.00089244e-03 -2.30069387e-04] [ 1.14184416e-03 -1.01899563e-03 1.89728567e-03] [-1.14184416e-03 -1.01899563e-03 -1.89728567e-03] [-2.06179346e-03 -2.26312457e-03 3.63199844e-03] [ 2.06179346e-03 -2.26312457e-03 -3.63199844e-03] [-3.34851286e-03 -3.32784412e-03 1.35104528e-03] [ 6.09559940e-04 1.60794084e-04 -4.92285958e-03] [ 3.34851286e-03 -3.32784412e-03 -1.35104527e-03] [-6.09559946e-04 1.60794079e-04 4.92285957e-03] [-1.25608229e-03 3.17612218e-03 1.46949124e-03] [-1.64293384e-03 1.20495772e-03 3.59452113e-04] [ 1.25608229e-03 3.17612217e-03 -1.46949124e-03] [ 1.64293384e-03 1.20495772e-03 -3.59452107e-04]] Final stress: [ 1.38885156e-04 6.95161677e-06 1.44895344e-04 -7.88832223e-15 -1.41834289e-04 2.53369464e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-2.00806273e-03 2.49952351e-03 -6.40124283e-03] [-1.02489240e-04 -2.49801309e-03 3.14282056e-04] [ 2.00806273e-03 2.49952351e-03 6.40124283e-03] [ 1.02489245e-04 -2.49801309e-03 -3.14282060e-04] [ 5.43726622e-03 -3.85905080e-03 1.06294397e-04] [-2.40157610e-03 -1.54670633e-04 8.87629267e-04] [-5.43726622e-03 -3.85905080e-03 -1.06294398e-04] [ 2.40157610e-03 -1.54670635e-04 -8.87629263e-04] [-1.17618313e-04 -6.12742514e-05 1.73561986e-03] [ 1.52452717e-03 2.00047773e-03 -2.30038113e-04] [-1.52452717e-03 2.00047772e-03 2.30038121e-04] [ 1.17618306e-04 -6.12742456e-05 -1.73561986e-03] [-2.06609089e-03 2.25949129e-03 -3.63262982e-03] [ 2.06609089e-03 2.25949129e-03 3.63262981e-03] [ 1.14334237e-03 1.01430025e-03 -1.89912992e-03] [-1.14334237e-03 1.01430025e-03 1.89912992e-03] [-6.08128945e-04 -1.58135397e-04 -4.91937007e-03] [ 3.34531890e-03 3.33530039e-03 1.34745365e-03] [ 6.08128945e-04 -1.58135402e-04 4.91937007e-03] [-3.34531890e-03 3.33530038e-03 -1.34745364e-03] [ 1.64304893e-03 -1.20503344e-03 3.59896756e-04] [ 1.25960285e-03 -3.17291555e-03 1.46812654e-03] [-1.64304893e-03 -1.20503344e-03 -3.59896762e-04] [-1.25960285e-03 -3.17291555e-03 -1.46812655e-03]] Final stress: [ 1.38901543e-04 6.97669518e-06 1.44912672e-04 7.98835425e-15 1.41822850e-04 -5.83201479e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[ 2.96074080e-03 -5.47020828e-03 9.63806771e-03] [-3.14209943e-04 3.22758045e-03 6.27479420e-04] [-2.96074080e-03 -5.47020828e-03 -9.63806771e-03] [ 3.14209943e-04 3.22758045e-03 -6.27479421e-04] [-9.10729931e-03 4.59784755e-03 5.58083240e-04] [ 4.21946111e-03 8.99864619e-04 1.36745147e-03] [ 9.10729932e-03 4.59784754e-03 -5.58083238e-04] [-4.21946111e-03 8.99864618e-04 -1.36745147e-03] [ 3.18915366e-03 2.71371496e-03 -7.50121519e-04] [-2.59789714e-03 -4.40418591e-04 3.82817934e-03] [ 2.59789715e-03 -4.40418590e-04 -3.82817934e-03] [-3.18915366e-03 2.71371496e-03 7.50121518e-04] [ 2.75227789e-03 -3.69076239e-03 5.41822069e-03] [-2.75227789e-03 -3.69076240e-03 -5.41822069e-03] [-1.95350781e-03 -3.73742891e-03 3.35308339e-03] [ 1.95350781e-03 -3.73742891e-03 -3.35308339e-03] [ 1.54954832e-03 8.46846546e-06 9.72407251e-03] [-4.35956451e-03 -2.43979839e-03 -4.39902364e-03] [-1.54954832e-03 8.46846227e-06 -9.72407250e-03] [ 4.35956450e-03 -2.43979840e-03 4.39902364e-03] [-8.04019714e-04 1.49260288e-03 1.66495795e-03] [-5.28192737e-03 2.83853764e-03 -2.32367086e-03] [ 8.04019711e-04 1.49260289e-03 -1.66495795e-03] [ 5.28192736e-03 2.83853764e-03 2.32367086e-03]] Final stress: [-1.59301929e-04 1.12668087e-04 -1.42914054e-04 5.74064968e-15 -2.96085692e-04 -1.63078960e-14] Minimization converged after 99 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.87736800e-03 3.32788894e-03 -3.14457538e-03] [-1.87736800e-03 -3.32788895e-03 -3.14457538e-03] [ 3.10605221e-03 9.05568194e-04 2.48364886e-03] [-3.10605222e-03 -9.05568189e-04 2.48364886e-03] [ 5.94057946e-03 -4.33665061e-05 -2.27227983e-03] [-5.94057946e-03 4.33665076e-05 -2.27227983e-03] [-1.03729505e-03 -2.55110799e-03 -7.63868386e-04] [ 1.03729505e-03 2.55110798e-03 -7.63868386e-04] [ 3.40381747e-04 -2.22949018e-03 2.26441697e-03] [-3.77519696e-04 -7.03568582e-04 7.48022140e-04] [-3.40381744e-04 2.22949018e-03 2.26441697e-03] [ 3.77519698e-04 7.03568581e-04 7.48022141e-04] [ 4.47546473e-04 7.82977465e-04 -1.07681802e-03] [-1.54445409e-03 -9.57537416e-04 -7.76948042e-04] [ 1.54445410e-03 9.57537414e-04 -7.76948045e-04] [-4.47546481e-04 -7.82977470e-04 -1.07681802e-03] [ 6.15841372e-04 -2.12114456e-03 -2.07316606e-03] [-6.15841379e-04 2.12114457e-03 -2.07316607e-03] [ 4.00058802e-03 2.70041349e-04 9.26854143e-04] [-4.00058801e-03 -2.70041348e-04 9.26854143e-04] [-8.77000643e-06 -9.03047349e-04 2.59605787e-03] [ 8.77000567e-06 9.03047352e-04 2.59605787e-03] [ 3.65717765e-05 1.75360497e-03 1.08865574e-03] [-3.65717772e-05 -1.75360497e-03 1.08865574e-03]] Final stress: [ 7.24567496e-05 -3.03238706e-05 7.45778538e-05 -8.44558330e-15 4.42839084e-15 -1.14876151e-04] Minimization converged after 108 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 7.86450856e-03 -1.19794020e-03 6.12145850e-03] [-7.86450857e-03 1.19794019e-03 6.12145851e-03] [ 3.15936022e-03 -5.75322400e-03 -5.00203475e-03] [-3.15936021e-03 5.75322399e-03 -5.00203476e-03] [-5.26247406e-03 1.95311464e-03 -1.89830344e-03] [ 5.26247405e-03 -1.95311465e-03 -1.89830341e-03] [ 1.30370275e-02 -3.67219794e-03 -4.60178299e-03] [-1.30370275e-02 3.67219793e-03 -4.60178302e-03] [ 4.13607407e-03 -2.15651973e-04 -6.01767060e-04] [-7.14062041e-05 -3.13710756e-03 8.46048598e-03] [-4.13607405e-03 2.15651998e-04 -6.01767099e-04] [ 7.14061983e-05 3.13710757e-03 8.46048597e-03] [ 7.54975190e-03 6.85995146e-03 4.66107582e-03] [ 4.59956943e-03 -1.25094131e-03 -2.51415846e-04] [-4.59956944e-03 1.25094133e-03 -2.51415837e-04] [-7.54975186e-03 -6.85995143e-03 4.66107578e-03] [ 1.31399100e-02 -3.56714969e-04 -1.43624866e-03] [-1.31399100e-02 3.56714948e-04 -1.43624867e-03] [ 1.03440706e-02 6.25117247e-03 -7.12382159e-03] [-1.03440706e-02 -6.25117249e-03 -7.12382162e-03] [ 9.14301377e-03 -4.47204190e-03 -1.41996157e-03] [-9.14301379e-03 4.47204190e-03 -1.41996163e-03] [-8.37398825e-04 2.36375786e-03 3.09231568e-03] [ 8.37398806e-04 -2.36375788e-03 3.09231573e-03]] Final stress: [-8.19728337e-05 1.94718736e-04 -7.19025175e-05 -1.76215752e-14 -2.12028904e-14 -2.56695170e-04] Minimization converged after 82 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-1.30016367e-05 1.06718716e-04 -1.08465126e-04] [ 1.30016402e-05 -1.06718713e-04 -1.08465130e-04] [ 1.30016385e-05 1.06718714e-04 1.08465128e-04] [-1.30016389e-05 -1.06718715e-04 1.08465128e-04] [-8.30276460e-04 -1.12202849e-04 3.68067228e-05] [ 8.30276461e-04 1.12202851e-04 3.68067156e-05] [ 8.30276460e-04 -1.12202849e-04 -3.68067224e-05] [-8.30276458e-04 1.12202847e-04 -3.68067221e-05] [ 1.62435046e-04 -9.67236438e-05 2.14119747e-04] [ 1.62435047e-04 9.67236415e-05 -2.14119752e-04] [-1.62435050e-04 9.67236384e-05 2.14119757e-04] [-1.62435050e-04 -9.67236380e-05 -2.14119757e-04] [ 6.58659963e-04 -1.65931924e-04 -2.86960069e-04] [-6.58659968e-04 -1.65931923e-04 2.86960066e-04] [ 6.58659973e-04 1.65931917e-04 2.86960062e-04] [-6.58659970e-04 1.65931921e-04 -2.86960064e-04] [ 1.83603391e-04 -4.73208476e-04 4.21447994e-04] [-1.83603393e-04 4.73208482e-04 4.21447998e-04] [-1.83603391e-04 -4.73208479e-04 -4.21447998e-04] [ 1.83603396e-04 4.73208479e-04 -4.21447987e-04] [-2.97518088e-04 -7.63414901e-05 3.35812000e-04] [ 2.97518090e-04 7.63414877e-05 3.35812002e-04] [ 2.97518084e-04 -7.63414861e-05 -3.35811991e-04] [-2.97518087e-04 7.63414905e-05 -3.35812003e-04]] Final stress: [ 1.22435849e-05 1.18793406e-05 4.01807921e-05 1.16201158e-14 8.87506474e-15 -1.74574492e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.25397948e-03 9.12746967e-04 1.74322479e-03] [-1.25397947e-03 -9.12746964e-04 1.74322478e-03] [-1.25397948e-03 9.12746966e-04 -1.74322478e-03] [ 1.25397948e-03 -9.12746966e-04 -1.74322479e-03] [ 2.66039027e-03 3.59748833e-04 4.78027684e-04] [-2.66039027e-03 -3.59748834e-04 4.78027684e-04] [-2.66039028e-03 3.59748837e-04 -4.78027685e-04] [ 2.66039027e-03 -3.59748834e-04 -4.78027682e-04] [-7.02221153e-05 3.14764167e-04 -9.31424045e-04] [-7.02221156e-05 -3.14764168e-04 9.31424044e-04] [ 7.02221095e-05 -3.14764171e-04 -9.31424039e-04] [ 7.02221126e-05 3.14764171e-04 9.31424042e-04] [-2.27251116e-03 9.86071464e-04 7.03427162e-04] [ 2.27251116e-03 9.86071456e-04 -7.03427159e-04] [-2.27251116e-03 -9.86071464e-04 -7.03427164e-04] [ 2.27251116e-03 -9.86071459e-04 7.03427162e-04] [-3.32711021e-04 1.63182796e-03 -1.43323802e-03] [ 3.32711022e-04 -1.63182795e-03 -1.43323802e-03] [ 3.32711025e-04 1.63182795e-03 1.43323801e-03] [-3.32711023e-04 -1.63182796e-03 1.43323801e-03] [ 1.84002395e-04 -6.78214071e-05 -1.69249535e-03] [-1.84002393e-04 6.78213985e-05 -1.69249535e-03] [-1.84002396e-04 -6.78214017e-05 1.69249535e-03] [ 1.84002395e-04 6.78214079e-05 1.69249534e-03]] Final stress: [-2.50041512e-06 -2.74262038e-06 4.24799593e-06 7.72684710e-15 1.38379188e-15 8.87848674e-15] Minimization converged after 104 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 4.94290347e-03 6.33880780e-03 -1.72363856e-03] [-3.50006479e-03 3.02522085e-03 -4.78080402e-03] [-3.50006479e-03 -3.02522085e-03 4.78080402e-03] [ 4.94290347e-03 -6.33880780e-03 1.72363856e-03] [ 3.12500228e-04 -1.54381681e-04 1.83013998e-03] [-8.64012610e-04 6.70295545e-04 2.85441776e-04] [-8.64012607e-04 -6.70295546e-04 -2.85441777e-04] [ 3.12500228e-04 1.54381681e-04 -1.83013998e-03] [-1.55336817e-03 -3.46745844e-03 2.21539266e-03] [-1.55336817e-03 3.46745844e-03 -2.21539265e-03] [-4.38594895e-03 8.63776018e-03 -2.91137904e-04] [-4.38594895e-03 -8.63776018e-03 2.91137902e-04] [-7.91611443e-04 1.28993871e-03 -5.44191792e-04] [ 5.12584099e-03 1.15594300e-03 -3.04658876e-03] [-7.91611446e-04 -1.28993871e-03 5.44191793e-04] [ 5.12584099e-03 -1.15594300e-03 3.04658876e-03] [ 4.52004079e-05 7.26750226e-03 1.93526377e-04] [-2.70151655e-03 3.25688620e-03 2.40427813e-03] [-2.70151655e-03 -3.25688620e-03 -2.40427813e-03] [ 4.52004163e-05 -7.26750226e-03 -1.93526374e-04] [ 1.89131674e-03 2.15668032e-03 -1.68009067e-03] [ 1.47876068e-03 -1.36687036e-03 2.02223545e-03] [ 1.47876068e-03 1.36687036e-03 -2.02223546e-03] [ 1.89131674e-03 -2.15668033e-03 1.68009066e-03]] Final stress: [-6.66046542e-05 -7.21810474e-05 1.21763888e-04 -2.16364595e-04 -5.42062178e-15 -7.20225355e-15] Minimization converged after 79 steps. Minimization converged after 97 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 20 steps. Final forces: [[-0.00519124 -0.00172332 -0.0013404 ] [ 0.00199005 0.0006904 0.00755304] [ 0.00519124 -0.00172332 0.0013404 ] [-0.00199005 0.0006904 -0.00755304] [ 0.00124298 -0.00208759 0.00203573] [ 0.00206812 -0.00196352 0.00070516] [-0.00124298 -0.00208759 -0.00203573] [-0.00206812 -0.00196352 -0.00070516] [ 0.00015544 0.00400578 -0.00219321] [ 0.00125925 -0.00356503 0.00317761] [-0.00125925 -0.00356503 -0.00317761] [-0.00015544 0.00400578 0.00219321] [ 0.00013166 0.00383658 -0.0043114 ] [-0.00013166 0.00383658 0.0043114 ] [ 0.00184231 0.00266666 -0.00070741] [-0.00184231 0.00266666 0.00070741] [-0.00095954 -0.0031149 -0.00536749] [ 0.00269468 0.00365375 0.00241932] [ 0.00095954 -0.0031149 0.00536749] [-0.00269468 0.00365375 -0.00241932] [ 0.00283201 0.00011615 0.00199413] [ 0.00123383 -0.00251496 0.00102898] [-0.00283201 0.00011615 -0.00199413] [-0.00123383 -0.00251496 -0.00102898]] Final stress: [ 1.69395414e-04 1.70759227e-04 9.20479947e-06 1.55266687e-14 2.12413765e-04 -1.41476576e-14] Minimization converged after 81 steps. Minimization converged after 86 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 2.98652209e-04 9.17704354e-05 2.47981827e-03] [-2.98652208e-04 -9.17704346e-05 2.47981827e-03] [ 6.39724269e-03 -2.00603998e-03 -2.50074885e-03] [-6.39724269e-03 2.00603998e-03 -2.50074885e-03] [ 1.89200915e-03 1.13743266e-03 -1.03645326e-03] [-1.89200915e-03 -1.13743266e-03 -1.03645327e-03] [ 3.62435178e-03 -2.04461166e-03 -2.28720840e-03] [-3.62435178e-03 2.04461165e-03 -2.28720840e-03] [ 8.93719645e-04 2.40000556e-03 1.47992044e-04] [ 9.51652391e-05 -5.42621225e-03 3.86286396e-03] [-8.93719642e-04 -2.40000556e-03 1.47992039e-04] [-9.51652385e-05 5.42621225e-03 3.86286397e-03] [ 2.25425409e-04 1.51213788e-03 -2.00726204e-03] [-1.73528881e-03 -1.08101884e-04 5.86542072e-05] [ 1.73528882e-03 1.08101883e-04 5.86542048e-05] [-2.25425410e-04 -1.51213789e-03 -2.00726204e-03] [ 1.35779153e-03 -3.34873351e-03 -3.29831182e-03] [-1.35779153e-03 3.34873351e-03 -3.29831182e-03] [ 4.92817505e-03 -6.26151736e-04 1.74952582e-04] [-4.92817505e-03 6.26151742e-04 1.74952579e-04] [ 1.47369547e-03 -1.24004610e-03 3.19247243e-03] [-1.47369547e-03 1.24004610e-03 3.19247244e-03] [-3.57239698e-04 1.64517173e-03 1.21323087e-03] [ 3.57239695e-04 -1.64517174e-03 1.21323088e-03]] Final stress: [ 1.44877055e-04 1.38875059e-04 7.03046949e-06 -1.40876708e-14 -1.44897986e-14 -1.41819183e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-6.39992798e-03 -2.00698388e-03 2.50153067e-03] [ 6.39992798e-03 2.00698388e-03 2.50153067e-03] [-3.10881088e-04 1.03906224e-04 -2.49031174e-03] [ 3.10881090e-04 -1.03906223e-04 -2.49031174e-03] [-3.63106139e-03 -2.05319963e-03 2.24547729e-03] [ 3.63106138e-03 2.05319963e-03 2.24547730e-03] [-1.90640361e-03 1.15766720e-03 1.01274632e-03] [ 1.90640361e-03 -1.15766720e-03 1.01274631e-03] [ 8.35296624e-05 5.43776885e-03 -3.86142545e-03] [ 8.96065749e-04 -2.39672115e-03 -1.55845613e-04] [-8.35296656e-05 -5.43776884e-03 -3.86142546e-03] [-8.96065749e-04 2.39672115e-03 -1.55845611e-04] [ 1.73233993e-03 -1.32189086e-04 -6.51852373e-05] [-2.32595028e-04 1.53148998e-03 1.99368613e-03] [ 2.32595021e-04 -1.53148997e-03 1.99368613e-03] [-1.73233993e-03 1.32189092e-04 -6.51852416e-05] [-4.92497334e-03 -6.07793104e-04 -1.49796217e-04] [ 4.92497335e-03 6.07793094e-04 -1.49796217e-04] [-1.35829033e-03 -3.36307706e-03 3.31790882e-03] [ 1.35829033e-03 3.36307705e-03 3.31790881e-03] [ 3.52901570e-04 1.64518207e-03 -1.19124097e-03] [-3.52901574e-04 -1.64518206e-03 -1.19124097e-03] [-1.46431544e-03 -1.25220422e-03 -3.15754400e-03] [ 1.46431544e-03 1.25220422e-03 -3.15754399e-03]] Final stress: [ 1.44549717e-04 1.38542303e-04 6.64135622e-06 -1.32780036e-14 8.43312494e-15 1.41885638e-04] Minimization converged after 105 steps. Minimization converged after 101 steps. Minimization converged after 26 steps. Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 61 steps. Minimization converged after 49 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00410234 0.01221194 0.00040331] [-0.00410234 -0.01221193 0.00040331] [-0.00410234 0.01221194 -0.00040331] [ 0.00410234 -0.01221194 -0.00040331] [ 0.00030158 0.03095232 -0.01752657] [-0.00030158 -0.03095232 -0.01752657] [-0.00030158 0.03095232 0.01752657] [ 0.00030158 -0.03095232 0.01752657] [-0.00309739 0.00641196 0.00377844] [-0.00309739 -0.00641196 -0.00377844] [ 0.00309739 -0.00641196 0.00377845] [ 0.00309739 0.00641196 -0.00377845] [-0.01127297 0.02989232 -0.00922509] [ 0.01127298 0.02989232 0.00922509] [-0.01127298 -0.02989232 0.00922509] [ 0.01127297 -0.02989232 -0.00922509] [-0.00076849 0.01800926 -0.02408791] [ 0.00076849 -0.01800926 -0.02408791] [ 0.00076849 0.01800926 0.02408791] [-0.00076849 -0.01800926 0.02408791] [-0.00481281 0.01605062 -0.0200904 ] [ 0.00481281 -0.01605062 -0.0200904 ] [ 0.00481281 0.01605062 0.0200904 ] [-0.00481281 -0.01605062 0.0200904 ]] Final stress: [-7.97986817e-05 -1.02806205e-04 1.98649408e-04 1.00781684e-12 -9.08753552e-15 3.78662893e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00534112 -0.01058293 0.006033 ] [-0.00534112 0.01058293 0.006033 ] [-0.00534112 -0.01058293 -0.006033 ] [ 0.00534112 0.01058293 -0.006033 ] [-0.00967773 -0.00104366 0.00339753] [ 0.00967773 0.00104366 0.00339753] [ 0.00967773 -0.00104366 -0.00339753] [-0.00967773 0.00104366 -0.00339753] [-0.00074001 0.00508049 0.01013634] [-0.00074001 -0.00508049 -0.01013634] [ 0.00074001 -0.00508049 0.01013634] [ 0.00074001 0.00508049 -0.01013634] [-0.00816052 -0.00211955 0.00583904] [ 0.00816052 -0.00211955 -0.00583904] [-0.00816052 0.00211955 -0.00583904] [ 0.00816052 0.00211955 0.00583904] [ 0.00360203 -0.00590322 0.00359914] [-0.00360203 0.00590322 0.00359914] [-0.00360203 -0.00590322 -0.00359914] [ 0.00360203 0.00590322 -0.00359914] [ 0.00539538 0.00737553 -0.01282499] [-0.00539537 -0.00737553 -0.01282499] [-0.00539537 0.00737553 0.01282499] [ 0.00539538 -0.00737553 0.01282499]] Final stress: [-1.55809916e-04 1.34066983e-04 -3.30327570e-06 -6.19332620e-13 -2.43088576e-13 1.99494536e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.32367871e-04 7.63714997e-04 -3.08466506e-04] [ 4.32367871e-04 -7.63714997e-04 -3.08466506e-04] [ 4.32367872e-04 7.63714996e-04 3.08466506e-04] [-4.32367872e-04 -7.63714996e-04 3.08466507e-04] [ 6.18851559e-04 1.14918562e-04 -2.23606210e-04] [-6.18851550e-04 -1.14918548e-04 -2.23606224e-04] [-6.18851557e-04 1.14918558e-04 2.23606213e-04] [ 6.18851553e-04 -1.14918553e-04 2.23606223e-04] [ 1.42494706e-04 -3.23227214e-04 -5.46694616e-04] [ 1.42494709e-04 3.23227212e-04 5.46694611e-04] [-1.42494709e-04 3.23227212e-04 -5.46694610e-04] [-1.42494700e-04 -3.23227218e-04 5.46694622e-04] [ 5.04217087e-04 5.06859120e-05 -2.43936572e-04] [-5.04217086e-04 5.06859121e-05 2.43936573e-04] [ 5.04217091e-04 -5.06859149e-05 2.43936568e-04] [-5.04217089e-04 -5.06859157e-05 -2.43936569e-04] [ 1.98644678e-05 2.62794977e-04 -1.88493685e-04] [-1.98644664e-05 -2.62794977e-04 -1.88493692e-04] [-1.98644698e-05 2.62794976e-04 1.88493683e-04] [ 1.98644602e-05 -2.62794978e-04 1.88493690e-04] [-2.03487061e-04 -3.96769197e-04 5.74230940e-04] [ 2.03487061e-04 3.96769200e-04 5.74230954e-04] [ 2.03487056e-04 -3.96769202e-04 -5.74230943e-04] [-2.03487062e-04 3.96769196e-04 -5.74230956e-04]] Final stress: [-3.63059731e-06 5.60141089e-07 -1.31268658e-06 2.44251843e-15 9.68529244e-15 3.39126580e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00068296 -0.00191231 -0.00036415] [ 0.00068296 0.00191231 -0.00036415] [ 0.00068296 -0.00191231 0.00036415] [-0.00068296 0.00191231 0.00036415] [ 0.00017545 -0.00527585 0.00288537] [-0.00017545 0.00527585 0.00288537] [-0.00017545 -0.00527585 -0.00288537] [ 0.00017545 0.00527585 -0.00288537] [ 0.00121097 -0.00055809 -0.00050064] [ 0.00121097 0.00055809 0.00050064] [-0.00121097 0.00055809 -0.00050064] [-0.00121097 -0.00055809 0.00050064] [ 0.00173259 -0.0050043 0.00201465] [-0.00173259 -0.0050043 -0.00201465] [ 0.00173259 0.0050043 -0.00201465] [-0.00173259 0.0050043 0.00201465] [ 0.0004583 -0.00371169 0.00468383] [-0.0004583 0.00371169 0.00468383] [-0.0004583 -0.00371169 -0.00468383] [ 0.0004583 0.00371169 -0.00468383] [ 0.00080861 -0.00263714 0.0041161 ] [-0.00080861 0.00263714 0.0041161 ] [-0.00080861 -0.00263714 -0.0041161 ] [ 0.00080861 0.00263714 -0.0041161 ]] Final stress: [ 9.86218353e-06 7.70715700e-06 -3.84427564e-05 2.42857053e-13 3.18832357e-14 8.55339691e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.09483535e-03 5.53134721e-04 4.73815061e-04] [-1.09483535e-03 -5.53134729e-04 4.73815077e-04] [-1.09483532e-03 5.53134699e-04 -4.73815046e-04] [ 1.09483532e-03 -5.53134699e-04 -4.73815050e-04] [ 4.32128286e-05 5.69022735e-04 -5.49332269e-04] [-4.32128559e-05 -5.69022761e-04 -5.49332218e-04] [-4.32128791e-05 5.69022804e-04 5.49332220e-04] [ 4.32129423e-05 -5.69022896e-04 5.49332151e-04] [ 2.88447111e-03 -1.68786245e-03 -8.75785670e-04] [ 2.88447099e-03 1.68786252e-03 8.75785796e-04] [-2.88447102e-03 1.68786251e-03 -8.75785788e-04] [-2.88447099e-03 -1.68786251e-03 8.75785774e-04] [ 3.43462701e-03 -1.08895737e-03 -7.92244601e-05] [-3.43462709e-03 -1.08895732e-03 7.92244204e-05] [ 3.43462705e-03 1.08895739e-03 7.92244592e-05] [-3.43462707e-03 1.08895731e-03 -7.92244296e-05] [ 2.39238865e-03 -3.51446143e-03 -3.23937439e-04] [-2.39238873e-03 3.51446139e-03 -3.23937443e-04] [-2.39238861e-03 -3.51446134e-03 3.23937455e-04] [ 2.39238866e-03 3.51446138e-03 3.23937442e-04] [ 1.77409681e-03 -2.35513282e-03 -8.09060690e-05] [-1.77409681e-03 2.35513289e-03 -8.09061049e-05] [-1.77409692e-03 -2.35513296e-03 8.09060050e-05] [ 1.77409693e-03 2.35513291e-03 8.09061275e-05]] Final stress: [ 4.01012609e-06 3.77750377e-05 5.21875901e-06 -9.25957334e-14 3.22898136e-14 2.05744307e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 7.41558312e-04 -3.02826084e-04 -4.17113371e-04] [-7.41558311e-04 3.02826085e-04 -4.17113372e-04] [-7.41558312e-04 -3.02826084e-04 4.17113372e-04] [ 7.41558317e-04 3.02826080e-04 4.17113367e-04] [-3.11724354e-04 -5.31712084e-04 1.33093807e-04] [ 3.11724343e-04 5.31712066e-04 1.33093824e-04] [ 3.11724348e-04 -5.31712074e-04 -1.33093817e-04] [-3.11724354e-04 5.31712084e-04 -1.33093813e-04] [ 5.18319373e-05 -2.43764160e-04 4.91007431e-04] [ 5.18319392e-05 2.43764161e-04 -4.91007431e-04] [-5.18319396e-05 2.43764160e-04 4.91007429e-04] [-5.18319426e-05 -2.43764159e-04 -4.91007432e-04] [ 1.11122232e-04 -2.15476155e-04 6.05818596e-04] [-1.11122234e-04 -2.15476154e-04 -6.05818598e-04] [ 1.11122229e-04 2.15476155e-04 -6.05818594e-04] [-1.11122225e-04 2.15476163e-04 6.05818591e-04] [ 2.61713715e-04 -1.81088100e-04 1.05914360e-05] [-2.61713709e-04 1.81088094e-04 1.05914347e-05] [-2.61713715e-04 -1.81088102e-04 -1.05914278e-05] [ 2.61713715e-04 1.81088105e-04 -1.05914399e-05] [-3.87630072e-04 5.68155390e-04 -2.06419234e-04] [ 3.87630072e-04 -5.68155401e-04 -2.06419237e-04] [ 3.87630078e-04 5.68155406e-04 2.06419233e-04] [-3.87630071e-04 -5.68155391e-04 2.06419246e-04]] Final stress: [ 9.11717094e-07 -1.27988561e-06 -3.89765885e-06 -1.28239470e-14 -1.15710256e-14 -9.69971708e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.01078719 0.00612193 0.00548136] [ 0.01078719 -0.00612193 0.00548136] [ 0.01078719 0.00612193 -0.00548136] [-0.01078719 -0.00612193 -0.00548136] [ 0.00519951 0.01030533 -0.00073765] [-0.00519951 -0.01030533 -0.00073765] [-0.00519951 0.01030533 0.00073765] [ 0.00519951 -0.01030533 0.00073765] [-0.00215515 0.00587561 -0.00830051] [-0.00215515 -0.00587561 0.00830051] [ 0.00215515 -0.00587561 -0.00830051] [ 0.00215515 0.00587561 0.00830051] [-0.00106652 0.00345638 -0.00981227] [ 0.00106652 0.00345638 0.00981227] [-0.00106652 -0.00345638 0.00981227] [ 0.00106652 -0.00345638 -0.00981227] [-0.0059964 0.00366905 0.00363948] [ 0.0059964 -0.00366905 0.00363948] [ 0.0059964 0.00366905 -0.00363948] [-0.0059964 -0.00366905 -0.00363948] [ 0.00750278 -0.01301595 0.00547108] [-0.00750278 0.01301595 0.00547108] [-0.00750278 -0.01301595 -0.00547108] [ 0.00750278 0.01301595 -0.00547108]] Final stress: [ 1.36888265e-04 -3.04145598e-06 -1.58476641e-04 4.68502191e-14 -3.06282989e-14 -2.95274144e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-3.55045308e-03 -9.45445413e-04 -9.46952282e-04] [ 3.55045317e-03 9.45445476e-04 -9.46952382e-04] [ 3.55045319e-03 -9.45445538e-04 9.46952421e-04] [-3.55045314e-03 9.45445491e-04 9.46952366e-04] [-6.94325242e-05 -1.20956621e-03 3.22472914e-03] [ 6.94326403e-05 1.20956638e-03 3.22472907e-03] [ 6.94324107e-05 -1.20956603e-03 -3.22472927e-03] [-6.94322803e-05 1.20956585e-03 -3.22472936e-03] [-1.06993214e-02 6.01605086e-03 3.82459899e-03] [-1.06993217e-02 -6.01605077e-03 -3.82459883e-03] [ 1.06993217e-02 -6.01605071e-03 3.82459876e-03] [ 1.06993214e-02 6.01605106e-03 -3.82459929e-03] [-1.26299526e-02 5.06285174e-03 6.08427015e-04] [ 1.26299527e-02 5.06285168e-03 -6.08426987e-04] [-1.26299527e-02 -5.06285160e-03 -6.08426965e-04] [ 1.26299526e-02 -5.06285161e-03 6.08426998e-04] [-9.67193279e-03 1.10805465e-02 8.41733447e-04] [ 9.67193246e-03 -1.10805465e-02 8.41733446e-04] [ 9.67193272e-03 1.10805466e-02 -8.41733431e-04] [-9.67193262e-03 -1.10805469e-02 -8.41733149e-04] [-5.47196748e-03 1.00263189e-02 9.79601262e-04] [ 5.47196748e-03 -1.00263190e-02 9.79601015e-04] [ 5.47196726e-03 1.00263188e-02 -9.79601092e-04] [-5.47196744e-03 -1.00263190e-02 -9.79600907e-04]] Final stress: [ 5.98602641e-05 -9.78113150e-05 6.68104232e-05 4.67898820e-13 4.89980103e-13 5.12455249e-13] Minimization converged after 100 steps. Minimization converged after 99 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 73 steps. Final forces: [[ 5.01399443e-04 2.18176597e-03 -5.01920099e-04] [ 1.16645173e-03 2.22593375e-03 2.62734807e-03] [ 1.16644903e-03 -2.22593330e-03 -2.62735028e-03] [ 5.01384959e-04 -2.18175813e-03 5.01933100e-04] [ 2.56873782e-04 2.34227331e-03 -3.42317848e-03] [-1.75890499e-03 1.03675225e-03 -2.34120734e-03] [-1.75890549e-03 -1.03674922e-03 2.34120445e-03] [ 2.56886419e-04 -2.34228159e-03 3.42317534e-03] [-7.39450892e-04 -6.40938441e-04 1.16207292e-03] [-7.39460389e-04 6.40939807e-04 -1.16206858e-03] [ 1.01677870e-04 -2.73159078e-03 -3.34958185e-04] [ 1.01678533e-04 2.73159104e-03 3.34959150e-04] [-1.08335727e-04 1.78710337e-03 -9.15933267e-04] [ 2.18178400e-03 6.05166154e-05 -1.48552721e-03] [-1.08324466e-04 -1.78711223e-03 9.15927251e-04] [ 2.18178036e-03 -6.05219318e-05 1.48553144e-03] [-2.21847321e-03 -1.35496653e-03 1.41703185e-03] [ 2.46835266e-03 -3.61609312e-04 -6.13628533e-04] [ 2.46836886e-03 3.61617088e-04 6.13626841e-04] [-2.21845827e-03 1.35496658e-03 -1.41703175e-03] [ 1.18248408e-03 -1.51850135e-03 -1.67962328e-05] [-3.03387212e-03 6.89633474e-04 2.32019229e-03] [-3.03388373e-03 -6.89632159e-04 -2.32018956e-03] [ 1.18249758e-03 1.51850174e-03 1.67868360e-05]] Final stress: [1.21402215e-02 3.55846666e-03 3.51061807e-03 1.59812708e-05 1.26728519e-11 9.76808212e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 73 steps. Final forces: [[ 0.00768999 -0.02956044 0.02102341] [-0.01594437 -0.0073292 -0.00523622] [-0.01594455 0.00732923 0.00523609] [ 0.00768975 0.02956061 -0.02102316] [-0.00491626 0.00562301 -0.0107004 ] [ 0.00520564 -0.02940971 -0.0170646 ] [ 0.00520573 0.02940972 0.01706455] [-0.00491605 -0.00562315 0.01070035] [ 0.01250468 0.01646681 -0.01444646] [ 0.01250458 -0.01646684 0.01444645] [-0.01836056 0.02626336 0.01005516] [-0.01836068 -0.02626328 -0.01005525] [-0.03713639 0.01456321 0.0239983 ] [ 0.01011235 0.03752901 -0.01150027] [-0.03713624 -0.01456332 -0.0239984 ] [ 0.01011213 -0.03752924 0.01150042] [-0.01077565 0.00246984 0.00551277] [ 0.02498734 0.0062963 0.02484119] [ 0.02498775 -0.00629607 -0.02484121] [-0.01077528 -0.00246989 -0.00551273] [ 0.0366163 0.01912352 0.01841652] [-0.00998329 0.00429316 -0.00578997] [-0.00998329 -0.00429312 0.00579013] [ 0.03661635 -0.01912352 -0.01841667]] Final stress: [ 1.24450442e-02 4.31960536e-03 3.85050032e-03 -1.28409100e-06 3.27795303e-10 4.82714621e-11] Minimization converged after 104 steps. Minimization converged after 108 steps. Minimization converged after 84 steps. Minimization converged after 78 steps. Minimization converged after 98 steps. Minimization converged after 96 steps. Minimization converged after 79 steps. Minimization converged after 80 steps. Minimization converged after 61 steps. Minimization converged after 49 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00043628 0.00391997 0.01163427] [-0.00043628 -0.00391997 0.01163427] [-0.00043628 0.00391997 -0.01163427] [ 0.00043629 -0.00391997 -0.01163427] [-0.00890875 -0.01072294 0.02849086] [ 0.00890875 0.01072294 0.02849086] [ 0.00890875 -0.01072294 -0.02849086] [-0.00890875 0.01072294 -0.02849086] [-0.01662983 0.0002571 0.02959565] [-0.01662983 -0.0002571 -0.02959565] [ 0.01662983 -0.0002571 0.02959565] [ 0.01662983 0.0002571 -0.02959565] [ 0.00364496 -0.00303513 0.00604351] [-0.00364497 -0.00303513 -0.00604351] [ 0.00364496 0.00303513 -0.00604351] [-0.00364496 0.00303513 0.00604351] [-0.02309377 -0.00076549 0.01728311] [ 0.02309377 0.00076549 0.01728311] [ 0.02309377 -0.00076549 -0.01728311] [-0.02309377 0.00076549 -0.01728311] [-0.01924062 -0.0045401 0.01527533] [ 0.01924062 0.0045401 0.01527533] [ 0.01924062 -0.0045401 -0.01527533] [-0.01924062 0.0045401 -0.01527533]] Final stress: [ 1.90334772e-04 -7.76110297e-05 -9.90573696e-05 8.87920099e-14 3.19592785e-13 -1.84651041e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00606942 0.00539094 -0.01066057] [-0.00606943 -0.00539094 -0.01066057] [-0.00606943 0.00539094 0.01066057] [ 0.00606943 -0.00539094 0.01066057] [ 0.00585969 -0.00821884 -0.00212807] [-0.00585969 0.00821884 -0.00212807] [-0.00585969 -0.00821884 0.00212807] [ 0.00585969 0.00821884 0.00212807] [ 0.00342952 -0.00973514 -0.0010534 ] [ 0.00342952 0.00973514 0.0010534 ] [-0.00342952 0.00973514 -0.0010534 ] [-0.00342952 -0.00973514 0.0010534 ] [ 0.01020809 -0.00075452 0.00512574] [-0.01020809 -0.00075452 -0.00512574] [ 0.01020809 0.00075452 -0.00512574] [-0.01020809 0.00075452 0.00512574] [ 0.00363031 0.00360287 -0.00593119] [-0.00363031 -0.00360287 -0.00593119] [-0.00363031 0.00360287 0.00593119] [ 0.00363031 -0.00360287 0.00593119] [-0.01288932 0.0054139 0.00742643] [ 0.01288932 -0.0054139 0.00742643] [ 0.01288932 0.0054139 -0.00742643] [-0.01288932 -0.0054139 -0.00742643]] Final stress: [-3.20942148e-06 -1.56847219e-04 1.35150814e-04 -1.48470630e-14 -3.37087128e-13 -2.32570960e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.03977899e-04 -4.21055867e-04 7.47058026e-04] [ 3.03977896e-04 4.21055864e-04 7.47058029e-04] [ 3.03977897e-04 -4.21055864e-04 -7.47058028e-04] [-3.03977896e-04 4.21055865e-04 -7.47058029e-04] [-2.44492738e-04 4.92660815e-04 5.04886348e-05] [ 2.44492746e-04 -4.92660802e-04 5.04886340e-05] [ 2.44492740e-04 4.92660810e-04 -5.04886368e-05] [-2.44492741e-04 -4.92660806e-04 -5.04886388e-05] [-2.17360618e-04 6.09136030e-04 1.12447578e-04] [-2.17360630e-04 -6.09136018e-04 -1.12447560e-04] [ 2.17360626e-04 -6.09136019e-04 1.12447562e-04] [ 2.17360629e-04 6.09136024e-04 -1.12447571e-04] [-5.34215165e-04 1.36498704e-04 -3.13968847e-04] [ 5.34215157e-04 1.36498712e-04 3.13968843e-04] [-5.34215162e-04 -1.36498703e-04 3.13968847e-04] [ 5.34215183e-04 -1.36498690e-04 -3.13968860e-04] [-1.83766899e-04 1.45781942e-05 2.61281576e-04] [ 1.83766898e-04 -1.45782050e-05 2.61281569e-04] [ 1.83766893e-04 1.45781806e-05 -2.61281569e-04] [-1.83766904e-04 -1.45781982e-05 -2.61281569e-04] [ 5.70169204e-04 -2.06237198e-04 -3.89866863e-04] [-5.70169213e-04 2.06237189e-04 -3.89866880e-04] [-5.70169223e-04 -2.06237201e-04 3.89866870e-04] [ 5.70169219e-04 2.06237183e-04 3.89866883e-04]] Final stress: [-1.28720111e-06 -3.81584531e-06 8.09912115e-07 4.56084512e-15 1.16628668e-15 -6.58743004e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00087698 -0.00093708 -0.00351128] [ 0.00087698 0.00093708 -0.00351128] [ 0.00087698 -0.00093708 0.00351128] [-0.00087698 0.00093708 0.00351128] [ 0.00583838 0.00376306 -0.01053418] [-0.00583838 -0.00376306 -0.01053418] [-0.00583838 0.00376306 0.01053418] [ 0.00583838 -0.00376306 0.01053418] [ 0.00509613 0.00063081 -0.01236339] [ 0.00509613 -0.00063081 0.01236339] [-0.00509613 -0.00063081 -0.01236339] [-0.00509613 0.00063081 0.01236339] [-0.00121303 0.0031375 -0.00011699] [ 0.00121303 0.0031375 0.00011699] [-0.00121303 -0.0031375 0.00011699] [ 0.00121303 -0.0031375 -0.00011699] [ 0.01081907 0.00086028 -0.00938694] [-0.01081907 -0.00086028 -0.00938694] [-0.01081907 0.00086028 0.00938694] [ 0.01081907 -0.00086028 0.00938694] [ 0.00975283 0.00097007 -0.00538483] [-0.00975283 -0.00097007 -0.00538483] [-0.00975282 0.00097007 0.00538483] [ 0.00975282 -0.00097007 0.00538483]] Final stress: [-9.40041049e-05 6.46091963e-05 5.78815389e-05 -5.90970692e-13 3.94541869e-13 -3.21312515e-14] Minimization converged after 96 steps. Minimization converged after 96 steps. Minimization converged after 80 steps. Minimization converged after 81 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 100 steps. Minimization converged after 97 steps. Minimization converged after 112 steps. Minimization converged after 109 steps. Minimization converged after 79 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.04286344 0.03772696 0.02615066] [-0.04286344 -0.03772696 0.02615066] [-0.04286344 0.03772696 -0.02615066] [ 0.04286344 -0.03772696 -0.02615066] [-0.03987751 -0.01730854 0.04590007] [ 0.0398775 0.01730854 0.04590007] [ 0.0398775 -0.01730854 -0.04590007] [-0.03987751 0.01730854 -0.04590007] [ 0.03693271 -0.00801989 0.03685062] [ 0.03693271 0.00801989 -0.03685062] [-0.03693271 0.00801989 0.03685062] [-0.03693271 -0.00801989 -0.03685062] [ 0.06893726 -0.05079525 -0.00363109] [-0.06893726 -0.05079525 0.00363109] [ 0.06893726 0.05079525 0.00363109] [-0.06893726 0.05079525 -0.00363109] [-0.01462354 -0.08537366 0.03294701] [ 0.01462355 0.08537366 0.03294701] [ 0.01462355 -0.08537366 -0.03294701] [-0.01462355 0.08537366 -0.03294702] [-0.01683945 -0.0559711 0.03436395] [ 0.01683945 0.0559711 0.03436395] [ 0.01683945 -0.0559711 -0.03436396] [-0.01683945 0.0559711 -0.03436395]] Final stress: [ 4.59743201e-04 1.86096655e-04 -4.11626027e-04 -2.52591237e-12 -4.68444523e-13 1.98719155e-12] Minimization converged after 49 steps. Minimization converged after 105 steps. Minimization converged after 108 steps. Minimization converged after 85 steps. Minimization converged after 78 steps. Minimization converged after 97 steps. Minimization converged after 98 steps. Minimization converged after 83 steps. Minimization converged after 88 steps. Minimization converged after 102 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 72 steps. Final forces: [[-1.75556218e-03 3.34988513e-03 -7.74511680e-04] [ 1.75556556e-03 -3.34987501e-03 -7.74527895e-04] [-1.88210609e-03 -3.79985381e-04 -6.85046766e-04] [ 1.88212149e-03 3.79961303e-04 -6.85073125e-04] [ 2.80658565e-03 -1.88607337e-04 3.06727560e-04] [-2.80657742e-03 1.88618116e-04 3.06714102e-04] [ 8.10860846e-04 1.61662325e-03 4.98332083e-04] [-8.10858679e-04 -1.61663198e-03 4.98313372e-04] [-1.24414204e-05 1.74362511e-03 -2.33909557e-03] [ 3.30042743e-03 3.99233957e-04 2.34633476e-04] [ 1.24221979e-05 -1.74363747e-03 -2.33907540e-03] [-3.30044087e-03 -3.99225282e-04 2.34613883e-04] [-2.46925019e-04 -2.42306426e-03 1.23845702e-03] [-1.92223200e-03 -2.89934332e-03 -2.78330831e-04] [ 1.92221326e-03 2.89935172e-03 -2.78305150e-04] [ 2.46922297e-04 2.42306427e-03 1.23846781e-03] [-1.25843689e-04 -6.10653666e-04 -1.36862615e-03] [ 1.25865303e-04 6.10655768e-04 -1.36857999e-03] [ 4.12858135e-04 8.54745394e-04 2.13589740e-03] [-4.12858461e-04 -8.54745646e-04 2.13594018e-03] [ 5.93266698e-04 1.28816105e-03 2.51125858e-03] [-5.93263411e-04 -1.28816598e-03 2.51125103e-03] [ 1.36998351e-03 -2.21638824e-04 -1.47972193e-03] [-1.36998314e-03 2.21649090e-04 -1.47971202e-03]] Final stress: [ 3.56594315e-03 3.52119689e-03 1.21559971e-02 3.66678922e-11 -6.36945762e-12 -2.34072341e-05] Minimization converged after 29 steps. Minimization converged after 29 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 29 steps. Minimization converged after 29 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 29 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00058262 0.00096794 0.00088316] [-0.00058262 -0.00096794 0.00088316] [-0.00058262 0.00096794 -0.00088316] [ 0.00058262 -0.00096794 -0.00088316] [-0.00012868 0.00218575 -0.00169538] [ 0.00012868 -0.00218575 -0.00169538] [ 0.00012868 0.00218575 0.00169538] [-0.00012868 -0.00218575 0.00169538] [ 0.00145182 -0.00139047 -0.00052226] [ 0.00145182 0.00139047 0.00052226] [-0.00145182 0.00139047 -0.00052226] [-0.00145182 -0.00139047 0.00052226] [ 0.00103481 0.00068132 -0.00041915] [-0.00103481 0.00068132 0.00041915] [ 0.00103481 -0.00068132 0.00041915] [-0.00103481 -0.00068132 -0.00041915] [ 0.00156297 -0.00019434 -0.00249339] [-0.00156297 0.00019434 -0.00249339] [-0.00156297 -0.00019434 0.00249339] [ 0.00156297 0.00019434 0.00249339] [ 0.00110537 -0.00057058 -0.00173398] [-0.00110537 0.00057058 -0.00173398] [-0.00110537 -0.00057058 0.00173398] [ 0.00110537 0.00057058 0.00173398]] Final stress: [-7.80042443e-06 2.34933862e-06 4.90185875e-07 5.91462442e-14 1.52363449e-13 -1.85972128e-14] Minimization converged after 47 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 5.41806236e-05 3.25191367e-04 -2.62396304e-05] [-5.41806343e-05 -3.25191382e-04 -2.62396150e-05] [-5.41806238e-05 3.25191370e-04 2.62396265e-05] [ 5.41806183e-05 -3.25191365e-04 2.62396334e-05] [-9.01705507e-05 1.17608700e-03 -3.58410982e-04] [ 9.01705611e-05 -1.17608698e-03 -3.58410994e-04] [ 9.01705516e-05 1.17608699e-03 3.58410975e-04] [-9.01705532e-05 -1.17608699e-03 3.58411007e-04] [-2.57707991e-04 1.39207582e-05 1.37412362e-04] [-2.57707991e-04 -1.39207594e-05 -1.37412361e-04] [ 2.57708002e-04 -1.39207506e-05 1.37412340e-04] [ 2.57708007e-04 1.39207550e-05 -1.37412350e-04] [-4.09541484e-04 8.42724768e-04 -5.74011705e-04] [ 4.09541488e-04 8.42724770e-04 5.74011711e-04] [-4.09541463e-04 -8.42724794e-04 5.74011687e-04] [ 4.09541479e-04 -8.42724785e-04 -5.74011698e-04] [-8.90154480e-05 7.33008039e-04 -8.36109641e-04] [ 8.90154353e-05 -7.33008018e-04 -8.36109702e-04] [ 8.90154327e-05 7.33008029e-04 8.36109659e-04] [-8.90154447e-05 -7.33008025e-04 8.36109665e-04] [ 5.29754782e-05 3.29767660e-04 -7.82735978e-04] [-5.29754805e-05 -3.29767643e-04 -7.82735962e-04] [-5.29754971e-05 3.29767655e-04 7.82735979e-04] [ 5.29754843e-05 -3.29767661e-04 7.82735971e-04]] Final stress: [ 6.04479311e-06 5.88250989e-06 1.52838431e-05 -1.78635248e-15 3.81132146e-14 2.63157511e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.00155879 -0.00341192 0.0017461 ] [-0.00155879 0.00341192 0.0017461 ] [-0.00155879 -0.00341192 -0.0017461 ] [ 0.00155879 0.00341192 -0.0017461 ] [-0.00311541 -0.0003547 0.00072125] [ 0.00311541 0.0003547 0.00072125] [ 0.00311541 -0.0003547 -0.00072125] [-0.00311541 0.0003547 -0.00072125] [-0.00058835 0.00155367 0.00325064] [-0.00058835 -0.00155367 -0.00325064] [ 0.00058835 -0.00155367 0.00325064] [ 0.00058835 0.00155367 -0.00325064] [-0.00236496 -0.00084979 0.00185826] [ 0.00236496 -0.00084979 -0.00185826] [-0.00236496 0.00084979 -0.00185826] [ 0.00236496 0.00084979 0.00185826] [ 0.00084818 -0.00172939 0.00103631] [-0.00084818 0.00172939 0.00103631] [-0.00084818 -0.00172939 -0.00103631] [ 0.00084818 0.00172939 -0.00103631] [ 0.00163417 0.00220353 -0.00395384] [-0.00163417 -0.00220353 -0.00395384] [-0.00163417 0.00220353 0.00395384] [ 0.00163417 -0.00220353 0.00395384]] Final stress: [-5.40322768e-05 2.81684598e-05 -1.26304534e-05 -1.32217124e-14 -3.79423650e-15 2.41523299e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-1.62106903e-03 3.31970663e-03 -1.80602597e-03] [ 1.62106904e-03 -3.31970663e-03 -1.80602598e-03] [ 1.62106903e-03 3.31970664e-03 1.80602597e-03] [-1.62106903e-03 -3.31970663e-03 1.80602598e-03] [ 3.29560839e-03 6.94779406e-04 -1.17688331e-03] [-3.29560839e-03 -6.94779406e-04 -1.17688331e-03] [-3.29560838e-03 6.94779402e-04 1.17688331e-03] [ 3.29560839e-03 -6.94779400e-04 1.17688331e-03] [ 8.56905106e-05 -1.32969246e-03 -2.87101821e-03] [ 8.56905114e-05 1.32969246e-03 2.87101821e-03] [-8.56905122e-05 1.32969246e-03 -2.87101821e-03] [-8.56905124e-05 -1.32969246e-03 2.87101821e-03] [ 2.70574697e-03 3.76871081e-04 -1.67093002e-03] [-2.70574697e-03 3.76871078e-04 1.67093002e-03] [ 2.70574697e-03 -3.76871082e-04 1.67093003e-03] [-2.70574698e-03 -3.76871081e-04 -1.67093002e-03] [-7.41876764e-04 1.82037903e-03 -9.25065478e-04] [ 7.41876762e-04 -1.82037902e-03 -9.25065472e-04] [ 7.41876771e-04 1.82037902e-03 9.25065481e-04] [-7.41876762e-04 -1.82037902e-03 9.25065477e-04] [-1.68374927e-03 -2.28862727e-03 3.85704884e-03] [ 1.68374927e-03 2.28862727e-03 3.85704884e-03] [ 1.68374928e-03 -2.28862727e-03 -3.85704884e-03] [-1.68374927e-03 2.28862727e-03 -3.85704884e-03]] Final stress: [ 2.75737170e-05 -5.33039207e-05 -1.26059943e-05 1.24885943e-15 -1.07672272e-14 -1.77055615e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-5.67640309e-05 -3.39444660e-04 1.89928633e-05] [ 5.67640560e-05 3.39444685e-04 1.89928372e-05] [ 5.67640291e-05 -3.39444663e-04 -1.89928621e-05] [-5.67640287e-05 3.39444657e-04 -1.89928651e-05] [ 1.25313154e-04 -1.21184118e-03 4.20555554e-04] [-1.25313148e-04 1.21184120e-03 4.20555520e-04] [-1.25313163e-04 -1.21184118e-03 -4.20555559e-04] [ 1.25313154e-04 1.21184120e-03 -4.20555553e-04] [ 2.98743400e-04 1.17250809e-05 -1.25979000e-04] [ 2.98743360e-04 -1.17250600e-05 1.25979025e-04] [-2.98743422e-04 -1.17251010e-05 -1.25978956e-04] [-2.98743396e-04 1.17250892e-05 1.25978976e-04] [ 4.42147496e-04 -9.13507098e-04 6.22788593e-04] [-4.42147574e-04 -9.13507036e-04 -6.22788641e-04] [ 4.42147576e-04 9.13507035e-04 -6.22788644e-04] [-4.42147525e-04 9.13507089e-04 6.22788610e-04] [ 1.18562158e-04 -8.19732094e-04 9.06588770e-04] [-1.18562150e-04 8.19732078e-04 9.06588798e-04] [-1.18562124e-04 -8.19732140e-04 -9.06588794e-04] [ 1.18562165e-04 8.19732145e-04 -9.06588737e-04] [-4.79601038e-05 -3.40414093e-04 8.63987075e-04] [ 4.79601202e-05 3.40414043e-04 8.63987065e-04] [ 4.79600640e-05 -3.40414057e-04 -8.63987011e-04] [-4.79600655e-05 3.40414063e-04 -8.63987062e-04]] Final stress: [-5.12601998e-06 -5.31032711e-06 -1.52942788e-05 3.79507377e-14 2.20074416e-14 -1.33885206e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 3.26635830e-04 -2.49840436e-05 5.48547791e-05] [-3.26635841e-04 2.49840393e-05 5.48547907e-05] [-3.26635835e-04 -2.49840376e-05 -5.48547831e-05] [ 3.26635850e-04 2.49840279e-05 -5.48547980e-05] [ 1.40266272e-05 1.38431327e-04 -2.58373985e-04] [-1.40266109e-05 -1.38431317e-04 -2.58373987e-04] [-1.40265948e-05 1.38431284e-04 2.58374018e-04] [ 1.40266077e-05 -1.38431301e-04 2.58373980e-04] [ 8.48830126e-04 -5.76442545e-04 -4.10585702e-04] [ 8.48830148e-04 5.76442560e-04 4.10585723e-04] [-8.48830141e-04 5.76442533e-04 -4.10585683e-04] [-8.48830098e-04 -5.76442563e-04 4.10585718e-04] [ 1.18205520e-03 -3.61101884e-04 -8.96870656e-05] [-1.18205519e-03 -3.61101876e-04 8.96870683e-05] [ 1.18205517e-03 3.61101883e-04 8.96870845e-05] [-1.18205515e-03 3.61101905e-04 -8.96870886e-05] [ 7.37983682e-04 -8.42864720e-04 -8.88282364e-05] [-7.37983658e-04 8.42864730e-04 -8.88282009e-05] [-7.37983708e-04 -8.42864772e-04 8.88281998e-05] [ 7.37983630e-04 8.42864761e-04 8.88282002e-05] [ 3.34752280e-04 -7.87133834e-04 5.15652530e-05] [-3.34752328e-04 7.87133838e-04 5.15652047e-05] [-3.34752283e-04 -7.87133828e-04 -5.15652479e-05] [ 3.34752292e-04 7.87133833e-04 -5.15652412e-05]] Final stress: [ 5.85830148e-06 1.53185770e-05 6.02237518e-06 7.09860569e-14 -8.53415551e-14 -2.37834551e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 3.31565747e-03 -1.80360421e-03 -1.61911894e-03] [-3.31565748e-03 1.80360420e-03 -1.61911894e-03] [-3.31565747e-03 -1.80360420e-03 1.61911894e-03] [ 3.31565747e-03 1.80360420e-03 1.61911894e-03] [-1.32791227e-03 -2.86695460e-03 8.54583548e-05] [ 1.32791227e-03 2.86695460e-03 8.54583538e-05] [ 1.32791227e-03 -2.86695460e-03 -8.54583557e-05] [-1.32791227e-03 2.86695461e-03 -8.54583585e-05] [ 3.76415203e-04 -1.66883166e-03 2.70199481e-03] [ 3.76415205e-04 1.66883166e-03 -2.70199480e-03] [-3.76415203e-04 1.66883167e-03 2.70199480e-03] [-3.76415206e-04 -1.66883167e-03 -2.70199480e-03] [ 6.93643852e-04 -1.17510153e-03 3.29129847e-03] [-6.93643851e-04 -1.17510153e-03 -3.29129847e-03] [ 6.93643851e-04 1.17510153e-03 -3.29129847e-03] [-6.93643848e-04 1.17510153e-03 3.29129847e-03] [ 1.81825945e-03 -9.23522822e-04 -7.41043414e-04] [-1.81825945e-03 9.23522816e-04 -7.41043423e-04] [-1.81825946e-03 -9.23522815e-04 7.41043418e-04] [ 1.81825946e-03 9.23522819e-04 7.41043415e-04] [-2.28547073e-03 3.85192379e-03 -1.68180249e-03] [ 2.28547073e-03 -3.85192379e-03 -1.68180250e-03] [ 2.28547074e-03 3.85192379e-03 1.68180250e-03] [-2.28547073e-03 -3.85192379e-03 1.68180250e-03]] Final stress: [-5.32336578e-05 -1.25905609e-05 2.75353462e-05 -1.53794450e-14 3.89922813e-15 1.56365425e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00341189 0.001746 0.00155889] [ 0.00341189 -0.001746 0.00155889] [ 0.00341189 0.001746 -0.00155889] [-0.00341189 -0.001746 -0.00155889] [ 0.00155368 0.00325046 -0.00058837] [-0.00155368 -0.00325046 -0.00058837] [-0.00155368 0.00325046 0.00058837] [ 0.00155368 -0.00325046 0.00058837] [-0.00084973 0.00185809 -0.00236482] [-0.00084973 -0.00185809 0.00236482] [ 0.00084973 -0.00185809 -0.00236482] [ 0.00084973 0.00185809 0.00236482] [-0.00035469 0.00072124 -0.00311526] [ 0.00035469 0.00072124 0.00311526] [-0.00035469 -0.00072124 0.00311526] [ 0.00035469 -0.00072124 -0.00311526] [-0.0017292 0.00103638 0.00084793] [ 0.0017292 -0.00103638 0.00084793] [ 0.0017292 0.00103638 -0.00084793] [-0.0017292 -0.00103638 -0.00084793] [ 0.00220347 -0.00395362 0.00163402] [-0.00220347 0.00395362 0.00163402] [-0.00220347 -0.00395362 -0.00163402] [ 0.00220347 0.00395362 -0.00163402]] Final stress: [ 2.81679487e-05 -1.26300636e-05 -5.40309925e-05 -2.17376484e-14 1.49419564e-14 -7.99098792e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-3.40621240e-04 1.90059563e-05 -5.71997316e-05] [ 3.40621215e-04 -1.90059783e-05 -5.71997055e-05] [ 3.40621237e-04 1.90059616e-05 5.71997244e-05] [-3.40621233e-04 -1.90059592e-05 5.71997266e-05] [ 1.09306605e-05 -1.26189783e-04 2.99304875e-04] [-1.09306647e-05 1.26189774e-04 2.99304907e-04] [-1.09306785e-05 -1.26189761e-04 -2.99304899e-04] [ 1.09306615e-05 1.26189776e-04 -2.99304870e-04] [-9.15974001e-04 6.23201206e-04 4.43036840e-04] [-9.15973955e-04 -6.23201236e-04 -4.43036878e-04] [ 9.15973949e-04 -6.23201228e-04 4.43036864e-04] [ 9.15974031e-04 6.23201171e-04 -4.43036773e-04] [-1.21436307e-03 4.22472639e-04 1.25256360e-04] [ 1.21436312e-03 4.22472607e-04 -1.25256316e-04] [-1.21436314e-03 -4.22472617e-04 -1.25256318e-04] [ 1.21436316e-03 -4.22472610e-04 1.25256307e-04] [-8.20890486e-04 9.08422336e-04 1.18802587e-04] [ 8.20890547e-04 -9.08422315e-04 1.18802558e-04] [ 8.20890486e-04 9.08422339e-04 -1.18802544e-04] [-8.20890589e-04 -9.08422334e-04 -1.18802641e-04] [-3.41747196e-04 8.65736822e-04 -4.72599627e-05] [ 3.41747150e-04 -8.65736782e-04 -4.72599312e-05] [ 3.41747188e-04 8.65736797e-04 4.72599107e-05] [-3.41747148e-04 -8.65736780e-04 4.72599104e-05]] Final stress: [-5.29614987e-06 -1.52979622e-05 -5.11127121e-06 -1.90439310e-14 -1.39563798e-13 3.94583178e-14] Minimization converged after 106 steps. Minimization converged after 102 steps. Minimization converged after 102 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 77 steps. Final forces: [[ 0.01392047 -0.00793472 0.00739592] [-0.00159078 -0.00324162 0.0022888 ] [-0.00159077 0.00324162 -0.0022888 ] [ 0.01392049 0.00793471 -0.00739594] [-0.0074035 -0.01468423 0.00353846] [ 0.00850911 -0.01296206 0.00660403] [ 0.00850911 0.01296204 -0.00660402] [-0.00740352 0.01468424 -0.00353845] [ 0.00887388 -0.02125556 0.00939801] [ 0.00887389 0.02125556 -0.00939801] [-0.00617191 0.00521146 0.00766278] [-0.0061719 -0.00521147 -0.00766278] [-0.00965786 -0.01786854 -0.00276663] [-0.01443889 -0.00239549 -0.01151509] [-0.00965787 0.01786854 0.00276664] [-0.01443887 0.0023955 0.01151508] [-0.01187402 -0.0071765 -0.00237294] [ 0.02129675 0.02017068 0.01188947] [ 0.02129673 -0.02017071 -0.01188946] [-0.01187404 0.00717652 0.00237294] [ 0.00586663 0.00786086 -0.00085983] [-0.00732988 0.00817119 -0.00059655] [-0.00732986 -0.00817119 0.00059654] [ 0.00586662 -0.00786086 0.00085984]] Final stress: [ 1.22487530e-02 3.71511110e-03 3.63612966e-03 -1.14771513e-05 -2.07331994e-11 -1.19501676e-11] Minimization converged after 106 steps. Minimization converged after 108 steps. Minimization converged after 88 steps. Minimization converged after 89 steps. Minimization converged after 101 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 8.08485544e-05 1.03142327e-03 3.05346153e-04] [-8.08485518e-05 -1.03142327e-03 3.05346152e-04] [ 1.40226905e-03 1.17456783e-03 -7.16095195e-04] [-1.40226906e-03 -1.17456782e-03 -7.16095184e-04] [ 9.05967379e-04 -1.72623403e-04 -3.98472836e-04] [-9.05967384e-04 1.72623400e-04 -3.98472834e-04] [ 5.24235874e-04 -1.25817076e-03 -6.82878845e-04] [-5.24235874e-04 1.25817076e-03 -6.82878830e-04] [ 1.70773117e-04 1.20037886e-04 1.08876822e-03] [ 1.71706582e-04 -7.38114958e-04 3.10740146e-04] [-1.70773108e-04 -1.20037879e-04 1.08876821e-03] [-1.71706573e-04 7.38114940e-04 3.10740176e-04] [ 7.51531476e-04 6.63830483e-04 -9.00939563e-04] [ 6.16619709e-04 -6.04924827e-04 1.79333602e-03] [-6.16619687e-04 6.04924818e-04 1.79333601e-03] [-7.51531501e-04 -6.63830508e-04 -9.00939548e-04] [ 2.24276698e-03 1.96506632e-04 -2.10244795e-04] [-2.24276700e-03 -1.96506625e-04 -2.10244816e-04] [ 1.23177967e-03 7.50050293e-04 -8.20988822e-04] [-1.23177966e-03 -7.50050271e-04 -8.20988839e-04] [ 4.78672675e-04 -5.83080144e-04 5.76939007e-04] [-4.78672662e-04 5.83080166e-04 5.76939045e-04] [ 1.16471680e-03 -1.48712063e-05 -3.45509508e-04] [-1.16471681e-03 1.48711987e-05 -3.45509518e-04]] Final stress: [ 1.73232255e-05 -2.99472472e-05 -2.96493837e-05 -3.51522772e-14 1.93621337e-14 -4.57165942e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[-1.41138044e-03 1.18054085e-03 7.20225221e-04] [ 1.41138044e-03 -1.18054086e-03 7.20225227e-04] [-8.12591665e-05 1.03908159e-03 -3.06128580e-04] [ 8.12591646e-05 -1.03908159e-03 -3.06128578e-04] [-5.29399500e-04 -1.26723149e-03 6.85387711e-04] [ 5.29399496e-04 1.26723149e-03 6.85387715e-04] [-9.13440549e-04 -1.71628820e-04 3.99610953e-04] [ 9.13440561e-04 1.71628800e-04 3.99610940e-04] [ 1.71653591e-04 7.43576812e-04 -3.13936491e-04] [ 1.74976312e-04 -1.21156760e-04 -1.09657368e-03] [-1.71653575e-04 -7.43576798e-04 -3.13936513e-04] [-1.74976306e-04 1.21156753e-04 -1.09657367e-03] [-6.22951109e-04 -6.10211833e-04 -1.80591888e-03] [-7.57511432e-04 6.70395259e-04 9.07829088e-04] [ 7.57511433e-04 -6.70395253e-04 9.07829087e-04] [ 6.22951104e-04 6.10211823e-04 -1.80591888e-03] [-1.24016255e-03 7.57756831e-04 8.27745232e-04] [ 1.24016253e-03 -7.57756831e-04 8.27745228e-04] [-2.25862676e-03 1.96659048e-04 2.14188833e-04] [ 2.25862676e-03 -1.96659036e-04 2.14188827e-04] [-1.17366340e-03 -1.51914167e-05 3.49471134e-04] [ 1.17366340e-03 1.51914402e-05 3.49471131e-04] [-4.83193205e-04 -5.89178092e-04 -5.81900533e-04] [ 4.83193204e-04 5.89178080e-04 -5.81900520e-04]] Final stress: [ 1.75242145e-05 -3.01043513e-05 -2.98038260e-05 -1.42329199e-14 2.84997987e-16 4.60600795e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00098207 0.00065141 0.00108202] [-0.00098207 -0.00065141 0.00108202] [-0.00098207 0.00065141 -0.00108202] [ 0.00098207 -0.00065141 -0.00108202] [-0.0004639 0.00115929 0.00076537] [ 0.0004639 -0.00115929 0.00076537] [ 0.0004639 0.00115929 -0.00076537] [-0.0004639 -0.00115929 -0.00076537] [-0.00188747 -0.00013802 0.002432 ] [-0.00188747 0.00013802 -0.002432 ] [ 0.00188747 0.00013802 0.002432 ] [ 0.00188747 -0.00013802 -0.002432 ] [-0.0005963 0.00161555 -0.00154566] [ 0.0005963 0.00161555 0.00154566] [-0.0005963 -0.00161555 0.00154566] [ 0.0005963 -0.00161555 -0.00154565] [-0.00276489 0.0017257 -0.00022211] [ 0.00276489 -0.0017257 -0.00022211] [ 0.00276489 0.0017257 0.00022211] [-0.00276489 -0.0017257 0.00022211] [-0.00194125 0.00123202 -0.00062504] [ 0.00194125 -0.00123202 -0.00062504] [ 0.00194125 0.00123202 0.00062504] [-0.00194125 -0.00123202 0.00062504]] Final stress: [ 1.17620588e-07 -1.09565403e-05 2.19687573e-06 2.51720102e-13 9.04298375e-14 6.86883838e-14] Minimization converged after 48 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-3.03607701e-05 5.19071681e-05 3.20681153e-04] [ 3.03607693e-05 -5.19071693e-05 3.20681152e-04] [ 3.03607727e-05 5.19071665e-05 -3.20681147e-04] [-3.03607520e-05 -5.19071847e-05 -3.20681167e-04] [-5.66601316e-04 -4.06557406e-04 8.24765809e-04] [ 5.66601321e-04 4.06557410e-04 8.24765808e-04] [ 5.66601320e-04 -4.06557412e-04 -8.24765816e-04] [-5.66601332e-04 4.06557427e-04 -8.24765795e-04] [-3.50766002e-04 -9.16071562e-05 1.15828686e-03] [-3.50765976e-04 9.16071488e-05 -1.15828688e-03] [ 3.50765981e-04 9.16071429e-05 1.15828688e-03] [ 3.50765979e-04 -9.16071479e-05 -1.15828688e-03] [ 1.34314747e-04 -2.55684629e-04 1.37366557e-05] [-1.34314748e-04 -2.55684621e-04 -1.37366603e-05] [ 1.34314730e-04 2.55684621e-04 -1.37366511e-05] [-1.34314748e-04 2.55684626e-04 1.37366607e-05] [-8.15697087e-04 -8.93583574e-05 7.18239794e-04] [ 8.15697120e-04 8.93583568e-05 7.18239790e-04] [ 8.15697089e-04 -8.93583704e-05 -7.18239799e-04] [-8.15697102e-04 8.93583756e-05 -7.18239785e-04] [-7.69490204e-04 5.70793559e-05 3.15211096e-04] [ 7.69490207e-04 -5.70793613e-05 3.15211111e-04] [ 7.69490231e-04 5.70793737e-05 -3.15211103e-04] [-7.69490229e-04 -5.70793565e-05 -3.15211091e-04]] Final stress: [ 1.51755160e-05 6.11275609e-06 5.95580633e-06 -2.31037284e-14 -4.20134965e-15 -1.59398811e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 0.00174567 0.00155867 -0.00341132] [-0.00174567 -0.00155867 -0.00341132] [-0.00174567 0.00155867 0.00341132] [ 0.00174567 -0.00155867 0.00341132] [ 0.00185772 -0.00236425 -0.00084971] [-0.00185772 0.00236425 -0.00084971] [-0.00185772 -0.00236425 0.00084971] [ 0.00185772 0.00236425 0.00084971] [ 0.00072084 -0.00311465 -0.00035463] [ 0.00072084 0.00311465 0.00035463] [-0.00072084 0.00311465 -0.00035463] [-0.00072084 -0.00311465 0.00035463] [ 0.00324971 -0.00058786 0.00155337] [-0.00324971 -0.00058786 -0.00155337] [ 0.00324971 0.00058786 -0.00155337] [-0.00324971 0.00058786 0.00155337] [ 0.0010361 0.0008482 -0.00172917] [-0.0010361 -0.0008482 -0.00172917] [-0.0010361 0.0008482 0.00172917] [ 0.0010361 -0.0008482 0.00172917] [-0.00395336 0.00163415 0.00220307] [ 0.00395336 -0.00163415 0.00220307] [ 0.00395336 0.00163415 -0.00220307] [-0.00395336 -0.00163415 -0.00220307]] Final stress: [-1.26280820e-05 -5.40208376e-05 2.81620272e-05 1.31911306e-14 -2.81397692e-14 -6.01724885e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-1.80678659e-03 -1.62174970e-03 3.32103534e-03] [ 1.80678659e-03 1.62174970e-03 3.32103534e-03] [ 1.80678659e-03 -1.62174970e-03 -3.32103535e-03] [-1.80678660e-03 1.62174971e-03 -3.32103534e-03] [-1.67159156e-03 2.70675676e-03 3.77190975e-04] [ 1.67159156e-03 -2.70675677e-03 3.77190975e-04] [ 1.67159156e-03 2.70675676e-03 -3.77190982e-04] [-1.67159156e-03 -2.70675677e-03 -3.77190979e-04] [-1.17716757e-03 3.29695023e-03 6.95156814e-04] [-1.17716757e-03 -3.29695023e-03 -6.95156812e-04] [ 1.17716757e-03 -3.29695023e-03 6.95156809e-04] [ 1.17716757e-03 3.29695023e-03 -6.95156810e-04] [-2.87215361e-03 8.52796924e-05 -1.33023361e-03] [ 2.87215361e-03 8.52796900e-05 1.33023361e-03] [-2.87215361e-03 -8.52796929e-05 1.33023360e-03] [ 2.87215361e-03 -8.52796910e-05 -1.33023360e-03] [-9.25520149e-04 -7.42497833e-04 1.82137087e-03] [ 9.25520146e-04 7.42497839e-04 1.82137087e-03] [ 9.25520153e-04 -7.42497832e-04 -1.82137086e-03] [-9.25520149e-04 7.42497832e-04 -1.82137087e-03] [ 3.85928776e-03 -1.68490023e-03 -2.28972438e-03] [-3.85928776e-03 1.68490022e-03 -2.28972437e-03] [-3.85928777e-03 -1.68490023e-03 2.28972438e-03] [ 3.85928777e-03 1.68490022e-03 2.28972437e-03]] Final stress: [-1.26111165e-05 2.75853803e-05 -5.33260329e-05 1.21775378e-15 -9.03038034e-15 -1.39000960e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.91700118e-05 -5.66427327e-05 -3.39248794e-04] [-1.91700187e-05 5.66427263e-05 -3.39248787e-04] [-1.91700092e-05 -5.66427403e-05 3.39248795e-04] [ 1.91700053e-05 5.66427478e-05 3.39248799e-04] [ 6.22466001e-04 4.42074793e-04 -9.13378811e-04] [-6.22466000e-04 -4.42074780e-04 -9.13378814e-04] [-6.22466021e-04 4.42074811e-04 9.13378784e-04] [ 6.22466048e-04 -4.42074864e-04 9.13378760e-04] [ 4.20630192e-04 1.25395180e-04 -1.21116588e-03] [ 4.20630187e-04 -1.25395198e-04 1.21116586e-03] [-4.20630194e-04 -1.25395166e-04 -1.21116590e-03] [-4.20630160e-04 1.25395172e-04 1.21116589e-03] [-1.25977938e-04 2.98495548e-04 1.15503428e-05] [ 1.25977933e-04 2.98495548e-04 -1.15503447e-05] [-1.25977962e-04 -2.98495519e-04 -1.15503344e-05] [ 1.25977945e-04 -2.98495556e-04 1.15503423e-05] [ 9.06135834e-04 1.18358535e-04 -8.19716916e-04] [-9.06135825e-04 -1.18358541e-04 -8.19716907e-04] [-9.06135807e-04 1.18358595e-04 8.19716943e-04] [ 9.06135782e-04 -1.18358598e-04 8.19716930e-04] [ 8.63568185e-04 -4.80077799e-05 -3.40235618e-04] [-8.63568210e-04 4.80078469e-05 -3.40235601e-04] [-8.63568219e-04 -4.80078400e-05 3.40235616e-04] [ 8.63568242e-04 4.80078147e-05 3.40235636e-04]] Final stress: [-1.52878555e-05 -5.13131955e-06 -5.31556929e-06 -1.73838515e-14 -9.17914950e-15 8.73647491e-14] Minimization converged after 105 steps. Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 3.12541999e-04 8.31094632e-05 1.08536743e-03] [-7.49151805e-04 1.46558492e-03 1.22306638e-03] [-7.49151798e-04 -1.46558493e-03 -1.22306637e-03] [ 3.12542000e-04 -8.31094635e-05 -1.08536744e-03] [-9.52091097e-04 7.92023970e-04 7.10149195e-04] [ 1.88264178e-03 6.59108971e-04 -6.38583611e-04] [ 1.88264177e-03 -6.59108956e-04 6.38583608e-04] [-9.52091088e-04 -7.92023986e-04 -7.10149212e-04] [-4.09711650e-04 9.55747145e-04 -1.69776033e-04] [-4.09711648e-04 -9.55747148e-04 1.69776029e-04] [-7.08304283e-04 5.58795720e-04 -1.32162258e-03] [-7.08304279e-04 -5.58795715e-04 1.32162257e-03] [ 1.14269474e-03 1.97329417e-04 1.25974706e-04] [ 3.33658708e-04 1.73944733e-04 -7.75534095e-04] [ 1.14269473e-03 -1.97329399e-04 -1.25974696e-04] [ 3.33658716e-04 -1.73944736e-04 7.75534089e-04] [-2.33429765e-04 2.35676641e-03 2.00403085e-04] [-8.64067419e-04 1.29342908e-03 8.01002054e-04] [-8.64067425e-04 -1.29342907e-03 -8.01002040e-04] [-2.33429779e-04 -2.35676643e-03 -2.00403081e-04] [ 6.15314151e-04 5.09560104e-04 -6.23103222e-04] [-3.70095358e-04 1.22595994e-03 -1.91230043e-05] [-3.70095360e-04 -1.22595996e-03 1.91229957e-05] [ 6.15314164e-04 -5.09560094e-04 6.23103240e-04]] Final stress: [-3.07233888e-05 1.88034364e-05 -3.10403658e-05 -4.82301090e-05 -1.59221058e-14 2.14021674e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 7.15709025e-04 -1.40197915e-03 1.17396253e-03] [-3.05166379e-04 -8.09484135e-05 1.03110535e-03] [-3.05166380e-04 8.09484157e-05 -1.03110535e-03] [ 7.15709029e-04 1.40197914e-03 -1.17396254e-03] [-1.79276541e-03 -6.16409796e-04 -6.04848465e-04] [ 9.00364028e-04 -7.51478428e-04 6.63169182e-04] [ 9.00364036e-04 7.51478414e-04 -6.63169170e-04] [-1.79276541e-03 6.16409802e-04 6.04848468e-04] [ 6.82242610e-04 -5.24269654e-04 -1.25794866e-03] [ 6.82242609e-04 5.24269658e-04 1.25794867e-03] [ 3.98483149e-04 -9.06068106e-04 -1.72311702e-04] [ 3.98483144e-04 9.06068106e-04 1.72311700e-04] [-3.10535000e-04 1.71480471e-04 7.38003749e-04] [-1.08868148e-03 1.70769516e-04 -1.20404709e-04] [-3.10535004e-04 -1.71480470e-04 -7.38003745e-04] [-1.08868149e-03 -1.70769515e-04 1.20404709e-04] [ 8.21277332e-04 -1.23124984e-03 7.49746109e-04] [ 2.10210718e-04 -2.24188973e-03 1.96607877e-04] [ 2.10210719e-04 2.24188972e-03 -1.96607882e-04] [ 8.21277335e-04 1.23124985e-03 -7.49746117e-04] [ 3.45338695e-04 -1.16502823e-03 -1.45705030e-05] [-5.76477287e-04 -4.78894199e-04 -5.82983497e-04] [-5.76477278e-04 4.78894203e-04 5.82983487e-04] [ 3.45338685e-04 1.16502823e-03 1.45705048e-05]] Final stress: [-2.96527198e-05 1.73073647e-05 -2.99504814e-05 4.57019858e-05 -3.76587513e-15 -7.61171792e-15] Minimization converged after 106 steps. Minimization converged after 104 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 77 steps. Final forces: [[ 2.96080262e-03 6.47689630e-03 5.72554695e-03] [-2.33986561e-05 -1.38266940e-02 -1.12658947e-02] [-2.96080877e-03 6.47690596e-03 -5.72554700e-03] [ 2.34011988e-05 -1.38266871e-02 1.12658914e-02] [ 1.22338310e-02 1.05776349e-02 -1.02664571e-02] [ 4.80701770e-03 8.81372585e-03 -2.17929212e-02] [-1.22338195e-02 1.05776225e-02 1.02664726e-02] [-4.80701452e-03 8.81371072e-03 2.17929114e-02] [ 1.33238074e-02 -1.60128718e-02 1.80504739e-02] [ 8.25278361e-03 1.15170491e-02 1.37869800e-02] [-8.25277706e-03 1.15170587e-02 -1.37869869e-02] [-1.33238140e-02 -1.60128722e-02 -1.80504797e-02] [ 1.14419440e-02 6.93155003e-03 -2.57292172e-03] [-1.14419463e-02 6.93155317e-03 2.57291770e-03] [ 1.48365832e-02 -1.11585451e-02 2.41432813e-02] [-1.48366037e-02 -1.11585637e-02 -2.41432672e-02] [ 1.37356235e-02 -2.22773749e-02 -3.06871085e-02] [ 1.03515873e-03 1.97627298e-02 -1.49870265e-02] [-1.37356249e-02 -2.22773694e-02 3.06870967e-02] [-1.03515683e-03 1.97627206e-02 1.49870400e-02] [ 4.10664990e-03 1.27316061e-02 -1.15764191e-02] [-8.01949311e-03 -1.35356738e-02 6.12000845e-03] [-4.10663129e-03 1.27315822e-02 1.15764167e-02] [ 8.01948565e-03 -1.35356942e-02 -6.12000752e-03]] Final stress: [ 3.73022228e-03 1.23068260e-02 3.78983954e-03 -1.59695722e-11 -3.89169849e-05 8.24427258e-12] Minimization converged after 110 steps. Minimization converged after 107 steps. Minimization converged after 109 steps. Minimization converged after 87 steps. Minimization converged after 86 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00108125 0.00098137 0.00065062] [-0.00108125 -0.00098137 0.00065062] [-0.00108125 0.00098137 -0.00065062] [ 0.00108125 -0.00098137 -0.00065062] [-0.0015465 -0.00059796 0.00161102] [ 0.0015465 0.00059796 0.00161102] [ 0.0015465 -0.00059796 -0.00161102] [-0.0015465 0.00059796 -0.00161102] [ 0.00076542 -0.0004616 0.00116133] [ 0.00076542 0.0004616 -0.00116133] [-0.00076542 0.0004616 0.00116133] [-0.00076542 -0.0004616 -0.00116133] [ 0.00243165 -0.00188547 -0.00013721] [-0.00243165 -0.00188547 0.00013721] [ 0.00243165 0.00188547 0.00013721] [-0.00243165 0.00188547 -0.00013721] [-0.00022292 -0.00276112 0.00172203] [ 0.00022292 0.00276112 0.00172203] [ 0.00022292 -0.00276112 -0.00172203] [-0.00022292 0.00276112 -0.00172203] [-0.00062413 -0.0019424 0.0012314 ] [ 0.00062413 0.0019424 0.0012314 ] [ 0.00062413 -0.0019424 -0.0012314 ] [-0.00062413 0.0019424 -0.0012314 ]] Final stress: [ 2.19910020e-06 1.21514600e-07 -1.09934699e-05 5.75222984e-14 2.34776999e-13 -6.63437962e-14] Minimization converged after 50 steps. Minimization converged after 104 steps. Minimization converged after 109 steps. Minimization converged after 87 steps. Minimization converged after 84 steps. Minimization converged after 110 steps. Minimization converged after 106 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 1.03750439e-03 3.06171738e-04 8.11212138e-05] [-1.17980205e-03 -7.19634807e-04 -1.40951030e-03] [-1.03750439e-03 3.06171741e-04 -8.11212171e-05] [ 1.17980205e-03 -7.19634808e-04 1.40951030e-03] [ 1.20658452e-04 1.09485540e-03 1.73782695e-04] [-7.42343158e-04 3.13309806e-04 1.71944848e-04] [-1.20658448e-04 1.09485540e-03 -1.73782695e-04] [ 7.42343155e-04 3.13309811e-04 -1.71944832e-04] [ 6.69138620e-04 -9.06632246e-04 7.56106646e-04] [-6.08876332e-04 1.80340847e-03 6.21461909e-04] [ 6.08876337e-04 1.80340847e-03 -6.21461919e-04] [-6.69138611e-04 -9.06632253e-04 -7.56106630e-04] [-1.72193519e-04 -3.99530884e-04 9.11601162e-04] [ 1.72193541e-04 -3.99530901e-04 -9.11601147e-04] [-1.26533050e-03 -6.85455067e-04 5.28164925e-04] [ 1.26533050e-03 -6.85455064e-04 -5.28164928e-04] [ 1.96790537e-04 -2.13117350e-04 2.25553637e-03] [-7.55927804e-04 -8.25982070e-04 -1.23858252e-03] [-1.96790542e-04 -2.13117358e-04 -2.25553636e-03] [ 7.55927788e-04 -8.25982078e-04 1.23858249e-03] [-5.87657334e-04 5.81099756e-04 4.82090819e-04] [ 1.52818201e-05 -3.48492732e-04 -1.17147951e-03] [ 5.87657332e-04 5.81099754e-04 -4.82090832e-04] [-1.52818363e-05 -3.48492731e-04 1.17147951e-03]] Final stress: [-3.00695979e-05 -2.97696127e-05 1.74884426e-05 -4.61513436e-15 -4.59966207e-05 1.89219808e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 22 steps. Final forces: [[ 1.19535860e-03 7.30192971e-04 -1.43097543e-03] [-1.05553668e-03 -3.08490376e-04 8.21100107e-05] [-1.19535860e-03 7.30192970e-04 1.43097543e-03] [ 1.05553668e-03 -3.08490382e-04 -8.21100164e-05] [ 7.54954878e-04 -3.20882909e-04 1.72444719e-04] [-1.23160458e-04 -1.11324291e-03 1.82747268e-04] [-7.54954865e-04 -3.20882927e-04 -1.72444702e-04] [ 1.23160457e-04 -1.11324290e-03 -1.82747269e-04] [-6.20438470e-04 -1.83324965e-03 -6.35750462e-04] [ 6.84113211e-04 9.23197627e-04 -7.69935854e-04] [-6.84113212e-04 9.23197617e-04 7.69935870e-04] [ 6.20438457e-04 -1.83324963e-03 6.35750445e-04] [-1.28681562e-03 6.92967476e-04 -5.40095921e-04] [ 1.28681562e-03 6.92967470e-04 5.40095923e-04] [-1.70698449e-04 4.03176678e-04 -9.28800905e-04] [ 1.70698447e-04 4.03176685e-04 9.28800907e-04] [ 7.73016584e-04 8.41399616e-04 -1.25874682e-03] [-1.98177989e-04 2.21281252e-04 2.29324748e-03] [-7.73016588e-04 8.41399599e-04 1.25874680e-03] [ 1.98177994e-04 2.21281247e-04 -2.29324747e-03] [-1.61658678e-05 3.56943097e-04 -1.19276244e-03] [ 6.01199203e-04 -5.93292868e-04 4.92986586e-04] [ 1.61658742e-05 3.56943111e-04 1.19276245e-03] [-6.01199219e-04 -5.93292867e-04 -4.92986600e-04]] Final stress: [-3.04498133e-05 -3.01434603e-05 1.79702193e-05 3.43803413e-14 4.68360449e-05 -1.72442407e-14] Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 23 steps. Final forces: [[-3.70318257e-03 -1.15855775e-03 1.59745288e-03] [ 3.70318258e-03 1.15855776e-03 1.59745287e-03] [ 7.49139036e-04 -8.19923648e-04 -7.44497902e-04] [-7.49139034e-04 8.19923642e-04 -7.44497906e-04] [-2.65687330e-03 -2.18717891e-03 6.00339774e-04] [ 2.65687329e-03 2.18717889e-03 6.00339779e-04] [-5.21626568e-04 2.14457824e-04 1.40439789e-03] [ 5.21626574e-04 -2.14457828e-04 1.40439788e-03] [-3.65756799e-04 3.53628612e-03 -1.68688343e-03] [ 7.93147790e-04 -2.27093220e-03 -1.50849815e-03] [ 3.65756794e-04 -3.53628613e-03 -1.68688341e-03] [-7.93147817e-04 2.27093222e-03 -1.50849818e-03] [-7.37514602e-04 -1.74511165e-03 -1.29441793e-03] [-3.07652953e-03 1.54186898e-03 -3.52097444e-04] [ 3.07652955e-03 -1.54186900e-03 -3.52097452e-04] [ 7.37514600e-04 1.74511166e-03 -1.29441793e-03] [-5.30606232e-03 4.84939685e-04 -2.62748892e-05] [ 5.30606230e-03 -4.84939666e-04 -2.62748747e-05] [-2.74093593e-03 -1.62537906e-03 2.72395032e-03] [ 2.74093596e-03 1.62537905e-03 2.72395033e-03] [-4.71124229e-04 -1.84360434e-04 7.80765119e-04] [ 4.71124233e-04 1.84360411e-04 7.80765103e-04] [-3.26172971e-03 -1.68091797e-03 -1.49423622e-03] [ 3.26172971e-03 1.68091800e-03 -1.49423623e-03]] Final stress: [ 6.84742090e-05 6.59482483e-05 -3.26507584e-05 5.34292968e-14 2.36800511e-15 9.35842846e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 74 steps. Final forces: [[ 0.00225361 0.00151756 -0.00432921] [-0.00225363 -0.00151759 -0.00432917] [ 0.00490733 0.00320931 -0.00233414] [-0.00490733 -0.0032093 -0.00233413] [-0.00357505 0.00142205 0.00150649] [ 0.00357504 -0.00142206 0.00150652] [ 0.01201103 0.00361708 -0.01015114] [-0.01201103 -0.00361708 -0.01015114] [ 0.00390399 0.00526011 0.00667005] [-0.00768489 -0.00122755 0.00281899] [-0.00390397 -0.0052601 0.00667002] [ 0.00768491 0.00122754 0.002819 ] [ 0.00734423 0.00480345 -0.00197139] [ 0.00715105 -0.00293146 -0.00192386] [-0.00715105 0.00293147 -0.00192386] [-0.00734421 -0.00480344 -0.00197142] [-0.0036641 0.00247699 0.00312393] [ 0.00366409 -0.00247699 0.00312389] [ 0.00220111 0.00223522 -0.00044526] [-0.00220113 -0.00223522 -0.00044531] [ 0.00148131 -0.00445267 0.00851708] [-0.00148131 0.00445269 0.00851705] [-0.00788301 -0.00373415 -0.0014815 ] [ 0.007883 0.00373414 -0.00148147]] Final stress: [ 3.60827655e-03 3.57496451e-03 1.21674642e-02 -3.70494773e-11 -2.34802442e-11 2.03038115e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 76 steps. Final forces: [[-0.00411202 0.00359319 0.00355295] [ 0.00411202 -0.00359319 0.00355295] [-0.00338962 0.00050259 -0.00103858] [ 0.00338961 -0.00050258 -0.00103858] [-0.01112387 0.00364453 0.00163545] [ 0.01112386 -0.00364453 0.00163546] [ 0.00098168 0.00530164 -0.00180067] [-0.00098168 -0.00530164 -0.00180067] [-0.01073091 -0.0013499 -0.0034795 ] [-0.00300231 -0.00454955 -0.00619048] [ 0.01073092 0.0013499 -0.00347951] [ 0.00300231 0.00454955 -0.00619048] [-0.00862725 0.00237123 -0.00424064] [-0.00641095 0.00340421 0.00519689] [ 0.00641095 -0.00340421 0.00519688] [ 0.00862725 -0.00237123 -0.00424065] [-0.00558864 -0.00178865 -0.00733807] [ 0.00558864 0.00178865 -0.00733808] [ 0.01222568 0.00778749 0.00948031] [-0.01222568 -0.00778749 0.00948029] [ 0.00302235 0.00078872 0.00762823] [-0.00302235 -0.00078872 0.00762823] [ 0.00752021 -0.00075786 -0.00340587] [-0.00752021 0.00075786 -0.00340586]] Final stress: [ 3.60682442e-03 3.56432486e-03 1.21893510e-02 -9.50270927e-12 -2.58096766e-12 1.33925965e-05] Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 22 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-7.20033539e-05 1.09087909e-05 5.95635410e-05] [ 7.20033530e-05 -1.09087924e-05 5.95635422e-05] [ 7.20033539e-05 1.09087915e-05 -5.95635417e-05] [-7.20033560e-05 -1.09087894e-05 -5.95635392e-05] [-1.83351728e-04 4.58333900e-04 -1.20170932e-04] [ 1.83351725e-04 -4.58333903e-04 -1.20170929e-04] [ 1.83351722e-04 4.58333909e-04 1.20170925e-04] [-1.83351724e-04 -4.58333906e-04 1.20170930e-04] [ 4.91306771e-05 -5.45152975e-04 -1.04012766e-04] [ 4.91306759e-05 5.45152974e-04 1.04012763e-04] [-4.91306737e-05 5.45152978e-04 -1.04012771e-04] [-4.91306778e-05 -5.45152976e-04 1.04012768e-04] [ 1.23312999e-04 1.08963041e-04 -1.27202902e-04] [-1.23313003e-04 1.08963042e-04 1.27202900e-04] [ 1.23313001e-04 -1.08963038e-04 1.27202901e-04] [-1.23313009e-04 -1.08963047e-04 -1.27202896e-04] [ 2.78411612e-04 1.23047514e-04 -3.19337246e-04] [-2.78411613e-04 -1.23047519e-04 -3.19337251e-04] [-2.78411609e-04 1.23047525e-04 3.19337253e-04] [ 2.78411617e-04 -1.23047521e-04 3.19337250e-04] [ 2.02634897e-04 -2.27534577e-04 -2.32846916e-05] [-2.02634888e-04 2.27534581e-04 -2.32846837e-05] [-2.02634893e-04 -2.27534585e-04 2.32846869e-05] [ 2.02634895e-04 2.27534583e-04 2.32846902e-05]] Final stress: [ 3.66032076e-06 2.83798744e-06 2.79010062e-06 -1.62707936e-14 1.02848823e-14 8.57190406e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 8.52863321e-05 -1.17016839e-05 -7.29682827e-05] [-8.52863343e-05 1.17016812e-05 -7.29682794e-05] [-8.52863333e-05 -1.17016820e-05 7.29682802e-05] [ 8.52863322e-05 1.17016837e-05 7.29682820e-05] [ 1.95158212e-04 -4.54058953e-04 1.05440222e-04] [-1.95158215e-04 4.54058950e-04 1.05440229e-04] [-1.95158213e-04 -4.54058952e-04 -1.05440228e-04] [ 1.95158213e-04 4.54058952e-04 -1.05440226e-04] [-2.88589008e-05 5.74450583e-04 1.02477493e-04] [-2.88589018e-05 -5.74450584e-04 -1.02477493e-04] [ 2.88589042e-05 -5.74450579e-04 1.02477485e-04] [ 2.88589061e-05 5.74450578e-04 -1.02477485e-04] [-1.09868729e-04 -9.42190853e-05 1.18396997e-04] [ 1.09868727e-04 -9.42190822e-05 -1.18396997e-04] [-1.09868726e-04 9.42190828e-05 -1.18396998e-04] [ 1.09868735e-04 9.42190844e-05 1.18396992e-04] [-2.71479542e-04 -1.23283217e-04 3.06586646e-04] [ 2.71479540e-04 1.23283215e-04 3.06586639e-04] [ 2.71479537e-04 -1.23283216e-04 -3.06586635e-04] [-2.71479541e-04 1.23283220e-04 -3.06586647e-04] [-1.91430900e-04 2.25164918e-04 1.48476908e-05] [ 1.91430897e-04 -2.25164911e-04 1.48476908e-05] [ 1.91430895e-04 2.25164914e-04 -1.48476914e-05] [-1.91430894e-04 -2.25164916e-04 -1.48476854e-05]] Final stress: [-3.13625415e-06 -2.25268825e-06 -2.29922927e-06 -1.07393383e-14 -3.88791370e-15 -5.05692544e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 4.98638451e-04 1.36211953e-03 3.88481885e-04] [-4.98638354e-04 -1.36211944e-03 3.88481782e-04] [-4.98638287e-04 1.36211938e-03 -3.88481744e-04] [ 4.98638304e-04 -1.36211940e-03 -3.88481758e-04] [-2.36877487e-05 4.21949541e-03 -1.69868980e-03] [ 2.36879052e-05 -4.21949515e-03 -1.69869001e-03] [ 2.36876663e-05 4.21949558e-03 1.69868973e-03] [-2.36876806e-05 -4.21949551e-03 1.69868976e-03] [-7.36388551e-04 2.67356881e-04 5.14218789e-04] [-7.36388770e-04 -2.67356718e-04 -5.14218589e-04] [ 7.36388676e-04 -2.67356792e-04 5.14218737e-04] [ 7.36388628e-04 2.67356889e-04 -5.14218860e-04] [-1.22700433e-03 3.72267466e-03 -1.76644731e-03] [ 1.22700443e-03 3.72267454e-03 1.76644738e-03] [-1.22700436e-03 -3.72267443e-03 1.76644734e-03] [ 1.22700435e-03 -3.72267457e-03 -1.76644732e-03] [-5.82939148e-05 3.07551560e-03 -3.62937287e-03] [ 5.82937761e-05 -3.07551586e-03 -3.62937288e-03] [ 5.82939361e-05 3.07551585e-03 3.62937280e-03] [-5.82939069e-05 -3.07551612e-03 3.62937310e-03] [-4.02598026e-04 2.18396278e-03 -3.00530613e-03] [ 4.02598010e-04 -2.18396292e-03 -3.00530625e-03] [ 4.02597747e-04 2.18396256e-03 3.00530614e-03] [-4.02597957e-04 -2.18396274e-03 3.00530606e-03]] Final stress: [-1.68744630e-05 -1.74617748e-05 3.07845113e-05 2.14198990e-13 6.62460135e-13 3.33542919e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.85852990e-04 -4.14886366e-04 2.13097058e-04] [-2.85852985e-04 4.14886375e-04 2.13097049e-04] [-2.85852991e-04 -4.14886370e-04 -2.13097054e-04] [ 2.85853002e-04 4.14886356e-04 -2.13097068e-04] [-2.99167437e-04 -3.50139375e-05 1.13775278e-04] [ 2.99167418e-04 3.50139027e-05 1.13775293e-04] [ 2.99167431e-04 -3.50139140e-05 -1.13775277e-04] [-2.99167450e-04 3.50139502e-05 -1.13775271e-04] [-1.15193344e-04 1.91167870e-04 3.04490616e-04] [-1.15193320e-04 -1.91167881e-04 -3.04490633e-04] [ 1.15193316e-04 -1.91167896e-04 3.04490651e-04] [ 1.15193275e-04 1.91167919e-04 -3.04490687e-04] [-2.49449734e-04 -4.49932629e-06 1.78757037e-04] [ 2.49449756e-04 -4.49936680e-06 -1.78757027e-04] [-2.49449767e-04 4.49935367e-06 -1.78757018e-04] [ 2.49449739e-04 4.49935841e-06 1.78757032e-04] [ 1.80875784e-04 -1.07024571e-04 2.00514227e-04] [-1.80875755e-04 1.07024571e-04 2.00514249e-04] [-1.80875769e-04 -1.07024569e-04 -2.00514244e-04] [ 1.80875800e-04 1.07024551e-04 -2.00514223e-04] [ 1.07404176e-04 1.63452912e-04 -4.00321736e-04] [-1.07404156e-04 -1.63452979e-04 -4.00321767e-04] [-1.07404115e-04 1.63452981e-04 4.00321760e-04] [ 1.07404134e-04 -1.63452922e-04 4.00321755e-04]] Final stress: [-4.73233692e-06 4.84669889e-07 -2.00316987e-06 3.72579552e-14 6.38931033e-15 -3.01286858e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.41901511e-04 4.79911575e-04 -1.52983627e-04] [ 2.41901506e-04 -4.79911584e-04 -1.52983619e-04] [ 2.41901500e-04 4.79911591e-04 1.52983612e-04] [-2.41901511e-04 -4.79911578e-04 1.52983628e-04] [ 3.38714779e-04 6.65089053e-05 -1.01621690e-04] [-3.38714766e-04 -6.65088836e-05 -1.01621706e-04] [-3.38714766e-04 6.65088755e-05 1.01621691e-04] [ 3.38714758e-04 -6.65088695e-05 1.01621726e-04] [ 1.01405789e-04 -1.59505605e-04 -3.10045842e-04] [ 1.01405797e-04 1.59505600e-04 3.10045828e-04] [-1.01405771e-04 1.59505622e-04 -3.10045863e-04] [-1.01405736e-04 -1.59505657e-04 3.10045918e-04] [ 2.62416229e-04 -6.78544472e-06 -1.09205632e-04] [-2.62416252e-04 -6.78539737e-06 1.09205618e-04] [ 2.62416263e-04 6.78540459e-06 1.09205606e-04] [-2.62416248e-04 6.78540097e-06 -1.09205615e-04] [-2.88637827e-05 2.96363150e-04 6.63471085e-06] [ 2.88637710e-05 -2.96363164e-04 6.63466446e-06] [ 2.88637568e-05 2.96363139e-04 -6.63468429e-06] [-2.88637932e-05 -2.96363102e-04 -6.63471475e-06] [-2.06511741e-04 -2.26705936e-04 3.05446874e-04] [ 2.06511742e-04 2.26705994e-04 3.05446952e-04] [ 2.06511728e-04 -2.26705973e-04 -3.05446913e-04] [-2.06511741e-04 2.26705937e-04 -3.05446924e-04]] Final stress: [ 6.66493201e-07 -4.95219491e-06 -2.02724830e-06 -7.87852811e-14 1.50374491e-14 -2.67524591e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00079412 -0.00237317 -0.00079911] [ 0.00079412 0.00237317 -0.00079911] [ 0.00079412 -0.00237317 0.00079911] [-0.00079412 0.00237317 0.00079911] [ 0.00018247 -0.00788625 0.00379403] [-0.00018247 0.00788626 0.00379403] [-0.00018247 -0.00788625 -0.00379403] [ 0.00018247 0.00788625 -0.00379403] [ 0.00169339 -0.00029745 -0.00093053] [ 0.00169339 0.00029745 0.00093053] [-0.00169339 0.00029745 -0.00093053] [-0.00169339 -0.00029745 0.00093053] [ 0.00231705 -0.00721631 0.00344138] [-0.00231705 -0.00721631 -0.00344138] [ 0.00231705 0.00721631 -0.00344138] [-0.00231705 0.00721631 0.00344138] [ 0.00044643 -0.00585944 0.00741443] [-0.00044643 0.00585944 0.00741443] [-0.00044643 -0.00585944 -0.00741443] [ 0.00044643 0.00585944 -0.00741443] [ 0.00113203 -0.00423431 0.00608424] [-0.00113203 0.00423431 0.00608424] [-0.00113203 -0.00423431 -0.00608424] [ 0.00113203 0.00423431 -0.00608424]] Final stress: [ 3.81410642e-05 3.64007440e-05 -5.10628570e-05 1.07774755e-12 8.24568051e-13 7.81739150e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.53301263e-03 4.37785853e-04 5.41628408e-04] [-1.53301260e-03 -4.37785866e-04 5.41628382e-04] [-1.53301261e-03 4.37785837e-04 -5.41628427e-04] [ 1.53301242e-03 -4.37785647e-04 -5.41628184e-04] [ 2.90781458e-04 6.25801864e-04 -8.14260142e-04] [-2.90781282e-04 -6.25801589e-04 -8.14260429e-04] [-2.90781705e-04 6.25802330e-04 8.14259879e-04] [ 2.90781519e-04 -6.25801983e-04 8.14260352e-04] [ 4.37422802e-03 -2.04343927e-03 -1.39636752e-03] [ 4.37422797e-03 2.04343917e-03 1.39636731e-03] [-4.37422778e-03 2.04343936e-03 -1.39636751e-03] [-4.37422759e-03 -2.04343956e-03 1.39636797e-03] [ 4.89925260e-03 -2.00455509e-03 -2.60618450e-05] [-4.89925204e-03 -2.00455540e-03 2.60622155e-05] [ 4.89925249e-03 2.00455533e-03 2.60619345e-05] [-4.89925253e-03 2.00455503e-03 -2.60618586e-05] [ 3.49421031e-03 -4.29971620e-03 -1.37979898e-04] [-3.49421062e-03 4.29971597e-03 -1.37980340e-04] [-3.49421035e-03 -4.29971565e-03 1.37980246e-04] [ 3.49421006e-03 4.29971558e-03 1.37980015e-04] [ 2.59545881e-03 -3.46334871e-03 -4.89963345e-04] [-2.59545881e-03 3.46334888e-03 -4.89962737e-04] [-2.59545908e-03 -3.46334925e-03 4.89963006e-04] [ 2.59545870e-03 3.46334900e-03 4.89962525e-04]] Final stress: [-1.84943484e-05 3.67635381e-05 -1.77655259e-05 -2.56591282e-13 6.93321207e-13 7.33145840e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 4.69151708e-04 -1.59587424e-04 -2.26100367e-04] [-4.69151711e-04 1.59587429e-04 -2.26100367e-04] [-4.69151692e-04 -1.59587444e-04 2.26100384e-04] [ 4.69151719e-04 1.59587418e-04 2.26100355e-04] [-1.56539817e-04 -3.08310649e-04 7.66672737e-05] [ 1.56539841e-04 3.08310671e-04 7.66672720e-05] [ 1.56539819e-04 -3.08310635e-04 -7.66672747e-05] [-1.56539830e-04 3.08310661e-04 -7.66672840e-05] [ 2.02344032e-05 -1.33715162e-04 2.72781147e-04] [ 2.02344304e-05 1.33715153e-04 -2.72781154e-04] [-2.02344266e-05 1.33715142e-04 2.72781165e-04] [-2.02344209e-05 -1.33715124e-04 -2.72781194e-04] [ 5.54364338e-05 -1.02974278e-04 3.61149487e-04] [-5.54363771e-05 -1.02974353e-04 -3.61149455e-04] [ 5.54363750e-05 1.02974329e-04 -3.61149451e-04] [-5.54363208e-05 1.02974377e-04 3.61149420e-04] [ 2.79379528e-04 1.19078754e-06 -5.98042802e-06] [-2.79379501e-04 -1.19077083e-06 -5.98041339e-06] [-2.79379566e-04 1.19076278e-06 5.98042799e-06] [ 2.79379480e-04 -1.19084601e-06 5.98043545e-06] [-2.42243225e-04 3.14256830e-04 -2.02754446e-04] [ 2.42243161e-04 -3.14256904e-04 -2.02754519e-04] [ 2.42243185e-04 3.14256877e-04 2.02754486e-04] [-2.42243196e-04 -3.14256848e-04 2.02754501e-04]] Final stress: [-4.38448230e-06 -1.99957938e-06 1.52561460e-07 1.17681642e-13 -6.17338624e-14 6.76405756e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-4.02054776e-04 2.19766782e-04 2.63996412e-04] [ 4.02054772e-04 -2.19766788e-04 2.63996418e-04] [ 4.02054790e-04 2.19766769e-04 -2.63996403e-04] [-4.02054792e-04 -2.19766767e-04 -2.63996400e-04] [ 1.91302489e-04 2.99179268e-04 -6.62070713e-05] [-1.91302502e-04 -2.99179285e-04 -6.62070451e-05] [-1.91302534e-04 2.99179330e-04 6.62070308e-05] [ 1.91302534e-04 -2.99179325e-04 6.62070323e-05] [-5.43150598e-05 2.15036498e-04 -2.64198945e-04] [-5.43151514e-05 -2.15036450e-04 2.64199028e-04] [ 5.43151087e-05 -2.15036458e-04 -2.64199011e-04] [ 5.43151275e-05 2.15036465e-04 2.64199003e-04] [-1.33404183e-05 1.15931347e-04 -3.35122934e-04] [ 1.33404162e-05 1.15931341e-04 3.35122941e-04] [-1.33404078e-05 -1.15931328e-04 3.35122941e-04] [ 1.33404320e-05 -1.15931328e-04 -3.35122948e-04] [-7.09822495e-05 2.15492796e-04 1.29261292e-04] [ 7.09822096e-05 -2.15492819e-04 1.29261255e-04] [ 7.09822834e-05 2.15492828e-04 -1.29261269e-04] [-7.09822648e-05 -2.15492841e-04 -1.29261283e-04] [ 1.90449313e-04 -4.16978598e-04 9.38322268e-05] [-1.90449309e-04 4.16978582e-04 9.38322008e-05] [-1.90449383e-04 -4.16978634e-04 -9.38322606e-05] [ 1.90449374e-04 4.16978614e-04 -9.38322112e-05]] Final stress: [-4.76732301e-07 -1.95944893e-06 -3.68562224e-06 -2.73069289e-14 3.73232980e-14 1.06587177e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00237083 -0.0007977 -0.00079423] [ 0.00237083 0.0007977 -0.00079423] [ 0.00237083 -0.0007977 0.00079423] [-0.00237083 0.0007977 0.00079423] [-0.00029935 -0.00093417 0.00167875] [ 0.00029935 0.00093417 0.00167875] [ 0.00029934 -0.00093417 -0.00167875] [-0.00029935 0.00093417 -0.00167875] [-0.0072166 0.00343707 0.00231638] [-0.0072166 -0.00343707 -0.00231638] [ 0.0072166 -0.00343707 0.00231638] [ 0.0072166 0.00343707 -0.00231638] [-0.00785919 0.00379355 0.00019381] [ 0.00785919 0.00379355 -0.0001938 ] [-0.00785919 -0.00379355 -0.00019381] [ 0.00785919 -0.00379355 0.00019381] [-0.00585972 0.00740562 0.00044636] [ 0.00585972 -0.00740562 0.00044636] [ 0.00585972 0.00740562 -0.00044636] [-0.00585972 -0.00740562 -0.00044636] [-0.00422059 0.00606782 0.00112288] [ 0.00422059 -0.00606782 0.00112289] [ 0.00422059 0.00606782 -0.00112289] [-0.00422059 -0.00606782 -0.00112289]] Final stress: [ 3.60162584e-05 -5.10467138e-05 3.77516997e-05 -4.36946100e-13 3.47719166e-13 1.33368511e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.73873913e-03 -7.64996664e-05 -2.86516481e-07] [-2.02271711e-03 5.24262172e-03 -1.68711530e-03] [-2.02271711e-03 -5.24262172e-03 1.68711530e-03] [ 1.73873913e-03 7.64996622e-05 2.86514301e-07] [-1.50527913e-03 4.89684351e-04 8.24585449e-04] [ 4.65556443e-05 -1.51882415e-03 -5.67438213e-04] [ 4.65556401e-05 1.51882415e-03 5.67438222e-04] [-1.50527913e-03 -4.89684341e-04 -8.24585440e-04] [-1.48119222e-03 1.76522241e-03 1.56499332e-03] [-1.48119223e-03 -1.76522242e-03 -1.56499333e-03] [-1.44333523e-03 2.77197240e-03 -9.78883292e-04] [-1.44333523e-03 -2.77197240e-03 9.78883294e-04] [ 4.00719417e-04 3.97039353e-04 1.98353849e-03] [ 2.90482812e-03 -7.51566981e-04 -4.50982584e-03] [ 4.00719413e-04 -3.97039341e-04 -1.98353848e-03] [ 2.90482812e-03 7.51566987e-04 4.50982584e-03] [-1.83848239e-03 1.37023359e-03 -2.77118894e-03] [ 2.96697694e-04 4.12158065e-03 -6.81627841e-04] [ 2.96697693e-04 -4.12158066e-03 6.81627835e-04] [-1.83848240e-03 -1.37023359e-03 2.77118893e-03] [ 2.23007937e-03 1.28192519e-03 -8.43474111e-04] [ 6.73386721e-04 -2.42194562e-04 1.31842237e-03] [ 6.73386712e-04 2.42194553e-04 -1.31842237e-03] [ 2.23007938e-03 -1.28192519e-03 8.43474115e-04]] Final stress: [-3.93101987e-05 8.33409086e-05 7.94363874e-05 -1.39268138e-04 -1.64477242e-14 2.80198882e-14] Minimization converged after 100 steps. Minimization converged after 102 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 105 steps. Minimization converged after 80 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-0.02078543 0.00701754 -0.01168663] [-0.00344949 -0.01871194 0.02385444] [ 0.02078543 0.00701754 0.01168663] [ 0.00344949 -0.01871194 -0.02385444] [ 0.01054042 -0.01456407 0.00401748] [-0.00204663 0.002473 0.01425222] [-0.01054042 -0.01456407 -0.00401748] [ 0.00204663 0.002473 -0.01425222] [ 0.01502033 0.00812189 -0.0063325 ] [-0.00196133 0.01260778 0.01019934] [ 0.00196133 0.01260778 -0.01019934] [-0.01502033 0.00812189 0.0063325 ] [ 0.00451277 0.03242099 -0.02911824] [-0.00451277 0.03242099 0.02911824] [ 0.00289249 0.01006174 0.01905938] [-0.00289249 0.01006174 -0.01905938] [-0.00132464 -0.00224135 -0.01021123] [-0.00104034 -0.00810721 0.02573252] [ 0.00132464 -0.00224135 0.01021123] [ 0.00104034 -0.00810721 -0.02573252] [ 0.01517403 -0.01241818 0.01430343] [ 0.00698581 -0.01666019 0.00423206] [-0.01517403 -0.01241818 -0.01430343] [-0.00698581 -0.01666019 -0.00423206]] Final stress: [ 7.28335686e-04 1.24015680e-04 1.30506005e-04 4.26921531e-14 6.33499296e-04 -2.06695697e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.05648867e-03 -3.31625644e-04 -1.33996433e-04] [-1.05648867e-03 3.31625641e-04 -1.33996430e-04] [ 1.18014519e-04 -7.35911041e-04 1.60491751e-04] [-1.18014525e-04 7.35911048e-04 1.60491760e-04] [ 2.88741384e-04 5.40740664e-04 -3.67444735e-04] [-2.88741385e-04 -5.40740665e-04 -3.67444734e-04] [ 6.75229006e-04 -5.06770343e-05 -3.17252114e-04] [-6.75229005e-04 5.06770307e-05 -3.17252108e-04] [ 6.53159441e-05 -3.54578322e-04 3.95701996e-04] [ 1.40250605e-05 -2.19217576e-04 1.62139621e-04] [-6.53159321e-05 3.54578333e-04 3.95701980e-04] [-1.40250504e-05 2.19217564e-04 1.62139639e-04] [-5.07096545e-04 1.08034518e-05 4.70787091e-04] [ 7.21138320e-05 -2.02712911e-04 -7.89617876e-04] [-7.21138254e-05 2.02712913e-04 -7.89617882e-04] [ 5.07096537e-04 -1.08034632e-05 4.70787096e-04] [ 3.56227825e-04 -4.18394191e-04 -5.51750261e-04] [-3.56227839e-04 4.18394186e-04 -5.51750278e-04] [ 6.77173384e-04 -8.11968982e-05 3.00028225e-04] [-6.77173386e-04 8.11969065e-05 3.00028214e-04] [ 5.52324065e-05 -3.28516507e-04 3.82714152e-04] [-5.52324031e-05 3.28516525e-04 3.82714167e-04] [-1.21164625e-04 3.83868180e-04 2.88198578e-04] [ 1.21164624e-04 -3.83868191e-04 2.88198579e-04]] Final stress: [-4.82704240e-06 1.66744517e-05 1.67185973e-05 -1.60761122e-14 1.77888416e-14 -2.60153235e-05] Minimization converged after 103 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-2.21718269e-04 6.63770879e-03 1.36636956e-03] [ 2.21718263e-04 -6.63770879e-03 1.36636957e-03] [ 5.11725679e-03 5.44488510e-03 -3.33955906e-03] [-5.11725678e-03 -5.44488511e-03 -3.33955907e-03] [ 4.22382070e-03 1.22999511e-04 -5.53536605e-03] [-4.22382068e-03 -1.22999489e-04 -5.53536606e-03] [ 2.67342913e-03 -2.96238211e-03 -7.98324644e-03] [-2.67342913e-03 2.96238210e-03 -7.98324645e-03] [ 3.46076951e-04 -2.13229531e-03 1.20519933e-03] [-4.33522688e-04 -6.91035888e-04 5.75348782e-03] [-3.46076993e-04 2.13229530e-03 1.20519934e-03] [ 4.33522706e-04 6.91035876e-04 5.75348782e-03] [ 1.33414756e-03 2.93778379e-03 -9.51280779e-03] [-3.34828236e-03 2.64007126e-03 3.15649159e-03] [ 3.34828230e-03 -2.64007125e-03 3.15649160e-03] [-1.33414751e-03 -2.93778378e-03 -9.51280782e-03] [ 6.94082005e-03 3.59988177e-03 4.93583674e-03] [-6.94081999e-03 -3.59988178e-03 4.93583675e-03] [ 3.75517695e-03 2.79109657e-03 -1.29420886e-03] [-3.75517701e-03 -2.79109659e-03 -1.29420885e-03] [ 1.92591965e-03 -3.33134449e-03 6.37587039e-03] [-1.92591969e-03 3.33134452e-03 6.37587037e-03] [ 2.28366218e-03 -1.85414148e-05 4.87193278e-03] [-2.28366213e-03 1.85414140e-05 4.87193279e-03]] Final stress: [ 9.22363674e-05 -9.23500576e-05 -9.25376063e-05 3.15566131e-14 -3.44452979e-14 -2.14739382e-04] Minimization converged after 77 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 6.03424617e-05 -7.32912995e-05 1.07831616e-05] [-6.03424622e-05 7.32912995e-05 1.07831618e-05] [-6.03424578e-05 -7.32913045e-05 -1.07831575e-05] [ 6.03424592e-05 7.32913029e-05 -1.07831593e-05] [-1.27087827e-04 1.23136139e-04 1.09001706e-04] [ 1.27087825e-04 -1.23136143e-04 1.09001707e-04] [ 1.27087823e-04 1.23136146e-04 -1.09001707e-04] [-1.27087818e-04 -1.23136154e-04 -1.09001715e-04] [-1.18503997e-04 -1.84476528e-04 4.57889439e-04] [-1.18503998e-04 1.84476526e-04 -4.57889440e-04] [ 1.18503994e-04 1.84476524e-04 4.57889446e-04] [ 1.18503999e-04 -1.84476527e-04 -4.57889441e-04] [-1.03016398e-04 4.79113085e-05 -5.47272641e-04] [ 1.03016400e-04 4.79113055e-05 5.47272642e-04] [-1.03016399e-04 -4.79113076e-05 5.47272642e-04] [ 1.03016396e-04 -4.79113117e-05 -5.47272639e-04] [-3.19237645e-04 2.78645946e-04 1.23450588e-04] [ 3.19237645e-04 -2.78645940e-04 1.23450598e-04] [ 3.19237649e-04 2.78645956e-04 -1.23450593e-04] [-3.19237649e-04 -2.78645950e-04 -1.23450592e-04] [-2.23819218e-05 2.02558287e-04 -2.27787314e-04] [ 2.23819201e-05 -2.02558280e-04 -2.27787317e-04] [ 2.23819163e-05 2.02558282e-04 2.27787314e-04] [-2.23819158e-05 -2.02558276e-04 2.27787310e-04]] Final stress: [ 2.78840250e-06 3.65343376e-06 2.83600662e-06 5.96863429e-15 -6.53068295e-15 1.69060980e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-7.29932146e-05 8.53311436e-05 -1.17103446e-05] [ 7.29932135e-05 -8.53311444e-05 -1.17103438e-05] [ 7.29932157e-05 8.53311423e-05 1.17103457e-05] [-7.29932137e-05 -8.53311440e-05 1.17103435e-05] [ 1.18465932e-04 -1.09839962e-04 -9.42840841e-05] [-1.18465938e-04 1.09839952e-04 -9.42840749e-05] [-1.18465939e-04 -1.09839949e-04 9.42840774e-05] [ 1.18465936e-04 1.09839954e-04 9.42840763e-05] [ 1.05324723e-04 1.95203064e-04 -4.54000045e-04] [ 1.05324722e-04 -1.95203064e-04 4.54000046e-04] [-1.05324725e-04 -1.95203065e-04 -4.54000046e-04] [-1.05324729e-04 1.95203069e-04 4.54000039e-04] [ 1.02492438e-04 -2.88002501e-05 5.74549487e-04] [-1.02492436e-04 -2.88002560e-05 -5.74549486e-04] [ 1.02492431e-04 2.88002573e-05 -5.74549482e-04] [-1.02492435e-04 2.88002546e-05 5.74549485e-04] [ 3.06692948e-04 -2.71479651e-04 -1.23238922e-04] [-3.06692943e-04 2.71479649e-04 -1.23238919e-04] [-3.06692942e-04 -2.71479643e-04 1.23238925e-04] [ 3.06692947e-04 2.71479643e-04 1.23238922e-04] [ 1.47125592e-05 -1.91537263e-04 2.25135988e-04] [-1.47125559e-05 1.91537256e-04 2.25135980e-04] [-1.47125551e-05 -1.91537260e-04 -2.25135988e-04] [ 1.47125603e-05 1.91537267e-04 -2.25135979e-04]] Final stress: [-2.30187292e-06 -3.13743426e-06 -2.25534371e-06 -3.76511877e-15 -3.99382417e-15 7.00913691e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.03314221e-04 3.99134588e-04 1.01109464e-03] [-3.03314150e-04 -3.99134548e-04 1.01109458e-03] [-3.03314288e-04 3.99134657e-04 -1.01109470e-03] [ 3.03314075e-04 -3.99134473e-04 -1.01109451e-03] [-1.25211379e-03 -9.30326624e-04 2.50683811e-03] [ 1.25211369e-03 9.30326502e-04 2.50683810e-03] [ 1.25211380e-03 -9.30326620e-04 -2.50683807e-03] [-1.25211365e-03 9.30326429e-04 -2.50683810e-03] [-1.05712389e-03 2.80663339e-05 2.96840410e-03] [-1.05712405e-03 -2.80662270e-05 -2.96840397e-03] [ 1.05712408e-03 -2.80662541e-05 2.96840402e-03] [ 1.05712388e-03 2.80662973e-05 -2.96840408e-03] [ 2.00647592e-04 -5.69721175e-04 1.23088381e-04] [-2.00647148e-04 -5.69721443e-04 -1.23088108e-04] [ 2.00647701e-04 5.69721131e-04 -1.23088444e-04] [-2.00647815e-04 5.69721058e-04 1.23088521e-04] [-2.30952596e-03 7.50329786e-05 2.10106133e-03] [ 2.30952546e-03 -7.50327052e-05 2.10106122e-03] [ 2.30952603e-03 7.50329816e-05 -2.10106135e-03] [-2.30952562e-03 -7.50329459e-05 -2.10106132e-03] [-2.09132949e-03 -3.06010222e-04 1.58193209e-03] [ 2.09132955e-03 3.06010289e-04 1.58193216e-03] [ 2.09132958e-03 -3.06010349e-04 -1.58193217e-03] [-2.09132981e-03 3.06010342e-04 -1.58193246e-03]] Final stress: [ 2.16250253e-05 -1.23394627e-05 -1.26810583e-05 1.56274108e-13 4.64235914e-13 1.61987709e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.29977262e-04 2.37017116e-04 -3.92151682e-04] [-2.29977244e-04 -2.37017098e-04 -3.92151703e-04] [-2.29977238e-04 2.37017088e-04 3.92151705e-04] [ 2.29977232e-04 -2.37017087e-04 3.92151709e-04] [ 2.44577490e-04 -2.84904111e-04 -4.78356533e-05] [-2.44577462e-04 2.84904155e-04 -4.78357124e-05] [-2.44577521e-04 -2.84904060e-04 4.78356338e-05] [ 2.44577534e-04 2.84904048e-04 4.78356334e-05] [ 1.39688576e-04 -3.55335271e-04 -1.10501265e-05] [ 1.39688556e-04 3.55335258e-04 1.10501034e-05] [-1.39688591e-04 3.55335243e-04 -1.10500739e-05] [-1.39688558e-04 -3.55335251e-04 1.10500959e-05] [ 3.25361898e-04 -1.02282697e-04 1.85408348e-04] [-3.25361881e-04 -1.02282735e-04 -1.85408336e-04] [ 3.25361924e-04 1.02282700e-04 -1.85408364e-04] [-3.25361908e-04 1.02282696e-04 1.85408361e-04] [ 2.13765943e-04 1.13618342e-04 -6.11315897e-05] [-2.13765963e-04 -1.13618308e-04 -6.11315666e-05] [-2.13765919e-04 1.13618378e-04 6.11315801e-05] [ 2.13765922e-04 -1.13618402e-04 6.11316329e-05] [-3.96089140e-04 6.94953695e-05 1.93202230e-04] [ 3.96089127e-04 -6.94953766e-05 1.93202249e-04] [ 3.96089058e-04 6.94953293e-05 -1.93202198e-04] [-3.96089096e-04 -6.94953252e-05 -1.93202275e-04]] Final stress: [-1.98321003e-06 -3.62861582e-06 -5.85245090e-07 8.12323525e-14 4.18129013e-14 1.17611188e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.67726107e-04 -2.10073226e-04 4.57971181e-04] [ 1.67726110e-04 2.10073232e-04 4.57971177e-04] [ 1.67726132e-04 -2.10073256e-04 -4.57971154e-04] [-1.67726121e-04 2.10073245e-04 -4.57971169e-04] [-1.59271034e-04 2.90190817e-04 4.41170880e-05] [ 1.59271008e-04 -2.90190860e-04 4.41171285e-05] [ 1.59270995e-04 2.90190884e-04 -4.41171165e-05] [-1.59270984e-04 -2.90190901e-04 -4.41171563e-05] [-1.13923362e-04 3.87122057e-04 4.51219931e-05] [-1.13923374e-04 -3.87122062e-04 -4.51219907e-05] [ 1.13923346e-04 -3.87122071e-04 4.51220073e-05] [ 1.13923325e-04 3.87122102e-04 -4.51220555e-05] [-3.12017986e-04 6.26557084e-05 -1.55946322e-04] [ 3.12017991e-04 6.26556745e-05 1.55946328e-04] [-3.12018014e-04 -6.26556705e-05 1.55946348e-04] [ 3.12017982e-04 -6.26556913e-05 -1.55946327e-04] [-1.00363845e-05 3.09671524e-05 2.50515178e-04] [ 1.00363988e-05 -3.09671449e-05 2.50515227e-04] [ 1.00364219e-05 3.09672125e-05 -2.50515185e-04] [-1.00363805e-05 -3.09672168e-05 -2.50515183e-04] [ 3.10707946e-04 -1.83870895e-04 -2.58855428e-04] [-3.10707931e-04 1.83870869e-04 -2.58855488e-04] [-3.10707945e-04 -1.83870882e-04 2.58855447e-04] [ 3.10707970e-04 1.83870924e-04 2.58855474e-04]] Final stress: [-1.98373620e-06 -4.19294354e-07 -3.78416440e-06 4.06329580e-14 -2.23143670e-14 7.01595499e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00080447 -0.00080092 -0.00238186] [ 0.00080447 0.00080092 -0.00238186] [ 0.00080447 -0.00080091 0.00238186] [-0.00080447 0.00080092 0.00238186] [ 0.00344581 0.00232563 -0.00722537] [-0.00344581 -0.00232563 -0.00722537] [-0.00344581 0.00232563 0.00722537] [ 0.00344581 -0.00232563 0.00722537] [ 0.00379168 0.00018569 -0.00788569] [ 0.00379168 -0.00018569 0.00788569] [-0.00379167 -0.00018569 -0.00788569] [-0.00379168 0.00018569 0.00788569] [-0.00092271 0.00169026 -0.00029518] [ 0.00092271 0.00169026 0.00029518] [-0.00092271 -0.00169026 0.00029518] [ 0.00092271 -0.00169026 -0.00029518] [ 0.0074086 0.00043874 -0.00586715] [-0.0074086 -0.00043874 -0.00586715] [-0.0074086 0.00043874 0.00586715] [ 0.0074086 -0.00043874 0.00586715] [ 0.00608539 0.00113212 -0.00424045] [-0.00608539 -0.00113212 -0.00424045] [-0.00608539 0.00113212 0.00424045] [ 0.00608539 -0.00113212 0.00424045]] Final stress: [-5.10862279e-05 3.81707519e-05 3.64286220e-05 -1.67624404e-13 3.69737664e-13 -6.19996777e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-2.54614777e-04 1.40366560e-03 -3.95575477e-04] [ 4.87008422e-05 2.67459281e-04 -1.18632600e-03] [ 4.87008448e-05 -2.67459282e-04 1.18632601e-03] [-2.54614774e-04 -1.40366560e-03 3.95575474e-04] [ 4.48594955e-04 -9.58673260e-04 -2.78062495e-04] [-1.24136244e-03 5.60729860e-05 -6.39579427e-05] [-1.24136244e-03 -5.60729914e-05 6.39579506e-05] [ 4.48594951e-04 9.58673264e-04 2.78062491e-04] [-6.33231430e-04 4.12752969e-04 6.55922788e-04] [-6.33231435e-04 -4.12752964e-04 -6.55922779e-04] [-6.82146407e-04 1.13627893e-03 -8.71237526e-05] [-6.82146400e-04 -1.13627893e-03 8.71237612e-05] [ 7.32457553e-04 3.36134143e-04 -5.29527530e-04] [-3.80386126e-05 -2.40551845e-04 -2.03597327e-04] [ 7.32457561e-04 -3.36134147e-04 5.29527527e-04] [-3.80385897e-05 2.40551860e-04 2.03597313e-04] [-7.89954890e-04 5.85545685e-04 -5.81953267e-04] [ 9.07617893e-04 7.43289438e-04 -1.61476261e-04] [ 9.07617881e-04 -7.43289453e-04 1.61476269e-04] [-7.89954892e-04 -5.85545679e-04 5.81953261e-04] [ 9.86293570e-04 1.56438576e-04 -5.47459042e-04] [ 5.15683730e-04 -1.95677719e-04 5.79150129e-04] [ 5.15683721e-04 1.95677722e-04 -5.79150140e-04] [ 9.86293581e-04 -1.56438576e-04 5.47459047e-04]] Final stress: [ 2.30490698e-05 -9.48490395e-06 2.29848921e-05 -4.11643756e-05 -4.65744588e-15 -2.65468573e-14] Minimization converged after 96 steps. Minimization converged after 85 steps. Minimization converged after 86 steps. Minimization converged after 107 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-4.18263247e-04 4.62847770e-04 -1.35972569e-03] [ 7.35355154e-05 -5.26916413e-04 -7.19057649e-06] [ 4.18263247e-04 4.62847770e-04 1.35972569e-03] [-7.35355161e-05 -5.26916415e-04 7.19057563e-06] [ 1.11694576e-03 -5.96760232e-04 -2.11755327e-04] [-4.86310352e-04 -1.78472918e-04 -8.17385724e-05] [-1.11694576e-03 -5.96760231e-04 2.11755332e-04] [ 4.86310351e-04 -1.78472914e-04 8.17385696e-05] [-3.40958233e-04 -1.30796739e-04 4.39269426e-04] [ 1.32817112e-04 1.71334118e-04 -3.28284054e-04] [-1.32817114e-04 1.71334114e-04 3.28284059e-04] [ 3.40958229e-04 -1.30796737e-04 -4.39269434e-04] [-2.46821128e-04 3.09831925e-04 -6.30373679e-04] [ 2.46821129e-04 3.09831922e-04 6.30373679e-04] [ 4.42265491e-04 5.12786334e-04 -4.42147297e-04] [-4.42265489e-04 5.12786338e-04 4.42147297e-04] [-2.79479293e-04 1.36349765e-05 -1.11565570e-03] [ 6.49930635e-04 4.25776508e-04 4.85013605e-04] [ 2.79479292e-04 1.36349710e-05 1.11565569e-03] [-6.49930631e-04 4.25776510e-04 -4.85013598e-04] [ 3.15331182e-04 -8.21015301e-05 -1.14551827e-04] [ 3.62807584e-04 -3.81163805e-04 2.38681039e-04] [-3.15331182e-04 -8.21015248e-05 1.14551835e-04] [-3.62807584e-04 -3.81163797e-04 -2.38681043e-04]] Final stress: [ 1.63642766e-05 -1.18477235e-05 1.66309339e-05 1.07596223e-14 3.25458335e-05 3.29275956e-15] Minimization converged after 99 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[-3.98867984e-03 -5.00212634e-03 -2.14562620e-03] [-5.00253734e-03 3.93477517e-03 1.17237214e-02] [ 3.98867986e-03 -5.00212638e-03 2.14562624e-03] [ 5.00253738e-03 3.93477513e-03 -1.17237215e-02] [-4.80871321e-03 1.72996751e-03 7.51609787e-04] [ 7.53690054e-03 -6.48061040e-03 -4.02692927e-05] [ 4.80871313e-03 1.72996765e-03 -7.51609868e-04] [-7.53690064e-03 -6.48061025e-03 4.02693510e-05] [ 9.36673215e-05 4.97940333e-03 8.13643357e-04] [-3.10521965e-03 -4.11371913e-04 3.20148336e-03] [ 3.10521948e-03 -4.11372014e-04 -3.20148320e-03] [-9.36675438e-05 4.97940350e-03 -8.13643605e-04] [-3.90167377e-03 3.93880700e-03 -4.69117298e-03] [ 3.90167374e-03 3.93880693e-03 4.69117296e-03] [ 1.63307477e-03 7.85343703e-03 -7.33473701e-03] [-1.63307481e-03 7.85343709e-03 7.33473701e-03] [ 6.32766170e-03 3.52645662e-03 9.49685127e-04] [-5.97377989e-03 -2.62524766e-04 6.65170798e-03] [-6.32766153e-03 3.52645663e-03 -9.49685206e-04] [ 5.97378007e-03 -2.62524809e-04 -6.65170789e-03] [ 6.45312933e-03 -6.87435752e-03 -3.63095732e-04] [ 5.51001666e-03 -6.93185607e-03 2.38185635e-03] [-6.45312919e-03 -6.87435726e-03 3.63095867e-04] [-5.51001656e-03 -6.93185588e-03 -2.38185635e-03]] Final stress: [-2.52443422e-04 1.88466165e-05 -2.34983397e-04 1.23458561e-13 3.25119147e-04 6.84330581e-14] Minimization converged after 108 steps. Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.21099164e-02 -6.46103577e-04 1.12555219e-02] [-1.21099164e-02 6.46103620e-04 1.12555219e-02] [ 5.25952039e-03 -1.10132919e-02 -6.07217673e-03] [-5.25952033e-03 1.10132919e-02 -6.07217680e-03] [-8.26277389e-03 4.80368921e-03 -4.55408532e-03] [ 8.26277387e-03 -4.80368927e-03 -4.55408533e-03] [ 1.72807840e-02 1.70590060e-03 -1.46568223e-02] [-1.72807840e-02 -1.70590057e-03 -1.46568224e-02] [ 4.55878672e-03 -2.92726677e-04 3.99947585e-04] [ 2.43925955e-03 -5.97115525e-03 8.10040680e-03] [-4.55878684e-03 2.92726511e-04 3.99947809e-04] [-2.43925962e-03 5.97115535e-03 8.10040664e-03] [-5.57393890e-03 -8.18640777e-05 -6.39026391e-03] [ 2.67912394e-03 3.71864389e-03 -3.40061106e-03] [-2.67912396e-03 -3.71864395e-03 -3.40061104e-03] [ 5.57393900e-03 8.18641821e-05 -6.39026397e-03] [ 1.41777343e-02 2.17076065e-03 3.74158949e-03] [-1.41777342e-02 -2.17076061e-03 3.74158963e-03] [ 3.97214388e-03 1.46821820e-03 -2.39442553e-03] [-3.97214386e-03 -1.46821828e-03 -2.39442545e-03] [ 2.53029459e-03 -3.65972750e-03 6.92335310e-03] [-2.53029467e-03 3.65972737e-03 6.92335295e-03] [-4.64944205e-03 7.15460733e-03 7.04756607e-03] [ 4.64944206e-03 -7.15460708e-03 7.04756596e-03]] Final stress: [-7.84932059e-05 2.76603258e-04 -6.36637012e-05 2.64158608e-13 -2.88323810e-15 -4.08139076e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[-9.39658988e-04 -1.90418523e-03 1.78045083e-03] [ 9.39658989e-04 1.90418523e-03 1.78045083e-03] [-2.22479683e-03 -7.61583579e-04 -1.90470801e-03] [ 2.22479682e-03 7.61583582e-04 -1.90470800e-03] [-3.57280092e-03 7.96379060e-05 1.85805036e-03] [ 3.57280092e-03 -7.96379105e-05 1.85805036e-03] [ 1.01603136e-03 1.46818684e-03 7.90611382e-04] [-1.01603136e-03 -1.46818684e-03 7.90611380e-04] [ 2.73414599e-04 1.30831825e-03 -1.66338982e-03] [ 2.54676100e-04 3.01654667e-04 -2.16315885e-04] [-2.73414595e-04 -1.30831825e-03 -1.66338982e-03] [-2.54676096e-04 -3.01654669e-04 -2.16315884e-04] [-1.30012071e-04 -2.44307617e-04 5.38271036e-04] [ 7.56594770e-04 3.37110650e-04 5.58555594e-04] [-7.56594766e-04 -3.37110648e-04 5.58555591e-04] [ 1.30012067e-04 2.44307616e-04 5.38271038e-04] [-7.64616401e-04 8.30017033e-04 9.87023477e-04] [ 7.64616399e-04 -8.30017040e-04 9.87023479e-04] [-2.83187486e-03 2.83596279e-04 -5.66755848e-04] [ 2.83187486e-03 -2.83596277e-04 -5.66755850e-04] [ 1.80191690e-04 8.03445022e-04 -1.30578535e-03] [-1.80191689e-04 -8.03445022e-04 -1.30578535e-03] [-3.71251139e-04 -9.17479695e-04 -8.56007765e-04] [ 3.71251136e-04 9.17479698e-04 -8.56007775e-04]] Final stress: [-4.03785474e-05 3.42402669e-05 -3.95000125e-05 -4.14849666e-15 1.59392798e-14 8.89184843e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 1.08922690e-05 5.93538545e-05 -7.17596041e-05] [-1.08922701e-05 -5.93538563e-05 -7.17596028e-05] [-1.08922703e-05 5.93538569e-05 7.17596021e-05] [ 1.08922698e-05 -5.93538559e-05 7.17596029e-05] [-5.44693997e-04 -1.04223345e-04 4.94037430e-05] [ 5.44693994e-04 1.04223340e-04 4.94037489e-05] [ 5.44693998e-04 -1.04223347e-04 -4.94037428e-05] [-5.44693992e-04 1.04223337e-04 -4.94037503e-05] [ 1.08927366e-04 -1.27216786e-04 1.23360051e-04] [ 1.08927366e-04 1.27216783e-04 -1.23360055e-04] [-1.08927361e-04 1.27216787e-04 1.23360048e-04] [-1.08927368e-04 -1.27216783e-04 -1.23360057e-04] [ 4.58445596e-04 -1.20577546e-04 -1.83113744e-04] [-4.58445599e-04 -1.20577545e-04 1.83113741e-04] [ 4.58445598e-04 1.20577546e-04 1.83113744e-04] [-4.58445596e-04 1.20577543e-04 -1.83113744e-04] [ 1.22980564e-04 -3.19327863e-04 2.78385680e-04] [-1.22980568e-04 3.19327867e-04 2.78385685e-04] [-1.22980569e-04 -3.19327862e-04 -2.78385676e-04] [ 1.22980571e-04 3.19327864e-04 -2.78385681e-04] [-2.27441155e-04 -2.34958194e-05 2.02666253e-04] [ 2.27441154e-04 2.34958281e-05 2.02666247e-04] [ 2.27441153e-04 -2.34958236e-05 -2.02666247e-04] [-2.27441153e-04 2.34958244e-05 -2.02666241e-04]] Final stress: [ 2.83712843e-06 2.78918422e-06 3.66089551e-06 9.98519398e-16 -3.97990919e-15 -2.12383677e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-1.12100586e-05 -7.07846498e-05 8.36332824e-05] [ 1.12100586e-05 7.07846500e-05 8.36332817e-05] [ 1.12100600e-05 -7.07846517e-05 -8.36332797e-05] [-1.12100567e-05 7.07846479e-05 -8.36332841e-05] [ 5.70837246e-04 1.04642169e-04 -3.11030152e-05] [-5.70837246e-04 -1.04642169e-04 -3.11030180e-05] [-5.70837245e-04 1.04642168e-04 3.11030189e-05] [ 5.70837247e-04 -1.04642171e-04 3.11030149e-05] [-9.41231266e-05 1.18920022e-04 -1.10118031e-04] [-9.41231202e-05 -1.18920027e-04 1.10118023e-04] [ 9.41231195e-05 -1.18920028e-04 -1.10118020e-04] [ 9.41231172e-05 1.18920030e-04 1.10118018e-04] [-4.54856354e-04 1.08815534e-04 1.93208334e-04] [ 4.54856350e-04 1.08815533e-04 -1.93208336e-04] [-4.54856351e-04 -1.08815536e-04 -1.93208335e-04] [ 4.54856351e-04 -1.08815535e-04 1.93208336e-04] [-1.22525591e-04 3.06898735e-04 -2.71538897e-04] [ 1.22525595e-04 -3.06898729e-04 -2.71538888e-04] [ 1.22525590e-04 3.06898734e-04 2.71538890e-04] [-1.22525588e-04 -3.06898732e-04 2.71538898e-04] [ 2.23893995e-04 1.62545789e-05 -1.92363476e-04] [-2.23893994e-04 -1.62545793e-05 -1.92363479e-04] [-2.23893993e-04 1.62545833e-05 1.92363484e-04] [ 2.23893995e-04 -1.62545768e-05 1.92363479e-04]] Final stress: [-2.25564931e-06 -2.30264927e-06 -3.14555141e-06 1.20714202e-14 -4.86519364e-15 -2.09254441e-15] Minimization converged after 101 steps. Minimization converged after 105 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 5.98991195e-04 7.80819815e-04 -2.33622959e-04] [-5.93276007e-04 3.63145896e-04 -5.37202076e-04] [-5.93276005e-04 -3.63145898e-04 5.37202078e-04] [ 5.98991196e-04 -7.80819816e-04 2.33622958e-04] [-4.65228260e-05 -2.52597371e-04 -3.05190470e-04] [-2.52500500e-04 -3.50910587e-05 -3.56071925e-05] [-2.52500504e-04 3.50910630e-05 3.56071975e-05] [-4.65228244e-05 2.52597367e-04 3.05190465e-04] [-4.66385418e-04 -1.59374692e-05 7.67018730e-04] [-4.66385416e-04 1.59374685e-05 -7.67018729e-04] [-5.31159726e-04 1.14606146e-03 -3.86023168e-08] [-5.31159726e-04 -1.14606146e-03 3.85985741e-08] [ 1.21306435e-04 -1.09744669e-04 1.26740375e-04] [ 6.30181469e-04 3.18550862e-05 -3.21212381e-04] [ 1.21306426e-04 1.09744673e-04 -1.26740366e-04] [ 6.30181479e-04 -3.18550809e-05 3.21212375e-04] [ 2.78684916e-04 1.06328776e-03 2.98667370e-04] [-3.25332946e-04 -1.58868689e-04 9.92141275e-05] [-3.25332954e-04 1.58868686e-04 -9.92141215e-05] [ 2.78684909e-04 -1.06328777e-03 -2.98667375e-04] [ 3.48831678e-04 1.59642806e-04 -5.11987906e-04] [ 2.37181732e-04 4.51932563e-04 3.26009883e-04] [ 2.37181733e-04 -4.51932565e-04 -3.26009895e-04] [ 3.48831685e-04 -1.59642804e-04 5.11987915e-04]] Final stress: [-2.36218978e-05 -2.37322855e-05 -2.07274376e-06 -2.80059495e-05 -1.20811775e-14 1.59527510e-15] Minimization converged after 80 steps. Minimization converged after 100 steps. Minimization converged after 96 steps. Minimization converged after 83 steps. Minimization converged after 83 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 7.93937512e-05 2.95487892e-04 2.08284293e-03] [-7.93937297e-05 -2.95487871e-04 2.08284291e-03] [ 6.67276284e-03 -2.39572908e-03 -2.03674152e-03] [-6.67276287e-03 2.39572910e-03 -2.03674150e-03] [ 2.37551194e-03 2.50329444e-03 -2.13100643e-03] [-2.37551194e-03 -2.50329444e-03 -2.13100647e-03] [ 3.46453160e-03 -1.10324664e-03 -1.86582190e-03] [-3.46453160e-03 1.10324665e-03 -1.86582190e-03] [ 9.34391565e-04 2.45809439e-03 7.71567294e-04] [-1.65388682e-03 -5.49550689e-03 3.61988624e-03] [-9.34391571e-04 -2.45809441e-03 7.71567326e-04] [ 1.65388682e-03 5.49550690e-03 3.61988622e-03] [ 6.28614358e-04 1.08796754e-03 -1.94085272e-03] [-1.92342921e-03 -1.05848382e-03 -1.71758993e-04] [ 1.92342926e-03 1.05848376e-03 -1.71759016e-04] [-6.28614418e-04 -1.08796758e-03 -1.94085268e-03] [ 1.76636796e-03 -4.23045916e-03 -2.22562700e-03] [-1.76636800e-03 4.23045920e-03 -2.22562698e-03] [ 5.79713275e-03 -9.33798530e-04 6.16216367e-04] [-5.79713270e-03 9.33798534e-04 6.16216417e-04] [ 1.65567173e-03 -1.44738733e-03 2.72525176e-03] [-1.65567171e-03 1.44738731e-03 2.72525178e-03] [-5.12836724e-04 2.26125132e-03 5.56043968e-04] [ 5.12836707e-04 -2.26125129e-03 5.56043915e-04]] Final stress: [ 9.95030004e-05 9.36668317e-05 -4.73085213e-05 2.88675210e-14 5.38765086e-14 -1.70038928e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.90610661e-03 -6.16591625e-04 7.58679941e-04] [ 1.90610660e-03 6.16591616e-04 7.58679951e-04] [-7.98524036e-05 1.52841153e-04 -7.74658708e-04] [ 7.98524067e-05 -1.52841154e-04 -7.74658708e-04] [-9.54653935e-04 -2.46718833e-04 6.06042975e-04] [ 9.54653938e-04 2.46718836e-04 6.06042978e-04] [-7.75013563e-04 8.09918109e-04 5.12081901e-04] [ 7.75013561e-04 -8.09918103e-04 5.12081908e-04] [-3.51287945e-04 1.60400667e-03 -1.02039314e-03] [-4.50341888e-05 -5.95549652e-04 4.30737746e-06] [ 3.51287947e-04 -1.60400667e-03 -1.02039314e-03] [ 4.50342074e-05 5.95549640e-04 4.30739887e-06] [ 8.02931695e-04 -2.04889902e-04 7.42415551e-05] [ 6.32906338e-05 1.48861073e-04 6.94150947e-04] [-6.32906409e-05 -1.48861063e-04 6.94150950e-04] [-8.02931677e-04 2.04889910e-04 7.42415449e-05] [-1.29612183e-03 -3.87464242e-04 -9.19228662e-05] [ 1.29612184e-03 3.87464233e-04 -9.19228772e-05] [-3.74160218e-04 -1.09417280e-03 4.74919646e-04] [ 3.74160196e-04 1.09417280e-03 4.74919629e-04] [ 1.54006091e-04 7.06517006e-04 -4.78527493e-04] [-1.54006104e-04 -7.06516996e-04 -4.78527489e-04] [-3.32534230e-05 -4.95178279e-04 -7.58922143e-04] [ 3.32534215e-05 4.95178277e-04 -7.58922142e-04]] Final stress: [ 2.67027710e-05 2.62178919e-05 -1.21981418e-05 -1.89794716e-14 -1.22561337e-14 4.74170044e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 21 steps. Final forces: [[ 1.40982436e-02 6.27492895e-03 -5.08181558e-03] [-1.40982436e-02 -6.27492897e-03 -5.08181556e-03] [ 1.84968552e-03 -4.70671004e-03 5.54295361e-03] [-1.84968546e-03 4.70670998e-03 5.54295355e-03] [ 8.36882090e-03 1.13619124e-03 -1.08431789e-02] [-8.36882088e-03 -1.13619118e-03 -1.08431789e-02] [ 6.07371311e-03 -4.98956361e-03 -5.94472002e-03] [-6.07371310e-03 4.98956355e-03 -5.94472010e-03] [ 4.74419407e-04 -9.49504640e-03 7.96222601e-03] [ 1.40227524e-03 6.00270771e-03 -2.47614439e-03] [-4.74419378e-04 9.49504645e-03 7.96222590e-03] [-1.40227530e-03 -6.00270770e-03 -2.47614443e-03] [-3.70849689e-03 -3.71330435e-03 2.68722140e-06] [-1.55955289e-03 5.19391689e-04 -6.75442393e-03] [ 1.55955276e-03 -5.19391605e-04 -6.75442384e-03] [ 3.70849702e-03 3.71330446e-03 2.68712507e-06] [ 8.58246752e-03 7.98034122e-03 1.22190589e-03] [-8.58246744e-03 -7.98034127e-03 1.22190595e-03] [-1.14594683e-03 7.36265655e-03 -2.78867302e-03] [ 1.14594679e-03 -7.36265666e-03 -2.78867301e-03] [ 2.34467737e-03 -6.78053340e-03 9.62025983e-03] [-2.34467743e-03 6.78053343e-03 9.62025972e-03] [ 5.50012358e-04 8.24457129e-03 9.53892338e-03] [-5.50012364e-04 -8.24457133e-03 9.53892358e-03]] Final stress: [-2.75562569e-04 -3.00536574e-04 2.89242766e-05 -9.98387313e-14 -4.19305948e-14 -3.96078785e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 19 steps. Final forces: [[ 1.61222700e-03 8.60040857e-04 -1.28568527e-03] [-1.61222700e-03 -8.60040863e-04 -1.28568527e-03] [-5.36044329e-03 1.80043454e-03 2.62364432e-03] [ 5.36044328e-03 -1.80043453e-03 2.62364433e-03] [-2.21349702e-03 -1.94032266e-03 3.50928308e-03] [ 2.21349705e-03 1.94032271e-03 3.50928306e-03] [-1.87348185e-03 -3.22653435e-05 3.71531423e-03] [ 1.87348186e-03 3.22653259e-05 3.71531423e-03] [ 1.49481636e-03 -2.47675588e-03 -1.82819347e-05] [ 9.21253896e-04 5.01311130e-03 -2.71173000e-03] [-1.49481633e-03 2.47675591e-03 -1.82819634e-05] [-9.21253879e-04 -5.01311133e-03 -2.71172996e-03] [-5.81435532e-04 4.66823879e-04 1.90648436e-03] [ 1.40059265e-03 8.43382526e-04 1.93772036e-04] [-1.40059263e-03 -8.43382511e-04 1.93772026e-04] [ 5.81435502e-04 -4.66823904e-04 1.90648438e-03] [-1.95115778e-03 1.59969513e-03 -3.34237163e-04] [ 1.95115776e-03 -1.59969514e-03 -3.34237164e-04] [-5.00405596e-03 2.34958075e-03 -1.63780434e-03] [ 5.00405596e-03 -2.34958075e-03 -1.63780434e-03] [-1.19550683e-03 2.05508555e-03 -3.31390531e-03] [ 1.19550684e-03 -2.05508550e-03 -3.31390527e-03] [ 2.01833091e-04 -1.05682758e-03 -2.64685404e-03] [-2.01833146e-04 1.05682753e-03 -2.64685404e-03]] Final stress: [-6.26564929e-05 -6.68498146e-05 6.30427174e-05 -7.64101792e-14 6.36520724e-14 1.58791520e-04] Minimization converged after 15 steps. Minimization converged after 14 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.01,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[11.19032 1.07032 -4.06182 -0. 0. -0. ] [ 1.07032 11.19607 3.00759 -0. 0. 0. ] [-4.06182 3.00759 0.23289 0. -0. 0. ] [-0. -0. 0. 0.16533 0. 0. ] [ 0. 0. -0. 0. 0.16531 -0. ] [-0. 0. 0. 0. -0. 0.16531]] 95%% Error estimate [ASE units]: [[ 37.71674 244.44296 72.66456 110.11341 0. 0. ] [244.44296 37.72251 239.89211 0. 0.12543 0. ] [ 72.66456 239.89211 19.65305 0. 0. 0. ] [110.11341 0. 0. 0.0006 0. 0. ] [ 0. 0.12543 0. 0. 0.00065 0. ] [ 0. 0. 0. 0. 0. 0.00062]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 122.221479 is too big compared to maximum elastic constant component 11.196073 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 10.957426 WARNING: Maximum deviation from material symmetry according to space group 198 is too big compared to maximum elastic constant component 11.196073 [ASE units] and requested fractional tolerance 0.010000. Unable to compute elastic constants with method energy-condensed, escalating to method stress-condensed Attempting to compute elastic constants with method stress-condensed and step generator MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 0 steps. Minimization converged after 63 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 8.48421408e-05 -3.63067551e-04 -3.33807184e-04] [-8.48421464e-05 3.63067546e-04 -3.33807180e-04] [-8.48421157e-05 -3.63067578e-04 3.33807204e-04] [ 8.48421152e-05 3.63067580e-04 3.33807206e-04] [ 2.72064496e-04 -2.21247311e-03 1.54621604e-03] [-2.72064465e-04 2.21247316e-03 1.54621600e-03] [-2.72064558e-04 -2.21247302e-03 -1.54621610e-03] [ 2.72064532e-04 2.21247306e-03 -1.54621607e-03] [-1.00255103e-03 1.91328106e-03 8.37949735e-04] [-1.00255104e-03 -1.91328108e-03 -8.37949764e-04] [ 1.00255100e-03 -1.91328108e-03 8.37949763e-04] [ 1.00255105e-03 1.91328108e-03 -8.37949757e-04] [-5.80680588e-04 -4.61322355e-04 8.46403645e-04] [ 5.80680512e-04 -4.61322326e-04 -8.46403686e-04] [-5.80680549e-04 4.61322352e-04 -8.46403668e-04] [ 5.80680553e-04 4.61322330e-04 8.46403672e-04] [-1.96983042e-03 1.90752772e-04 2.51269359e-03] [ 1.96983047e-03 -1.90752798e-04 2.51269358e-03] [ 1.96983046e-03 1.90752847e-04 -2.51269356e-03] [-1.96983047e-03 -1.90752851e-04 -2.51269352e-03] [-1.36689285e-03 3.25106471e-04 1.06680748e-03] [ 1.36689288e-03 -3.25106478e-04 1.06680751e-03] [ 1.36689277e-03 3.25106425e-04 -1.06680746e-03] [-1.36689276e-03 -3.25106458e-04 -1.06680749e-03]] Final stress: [ 6.77750352e-06 -3.32839649e-06 -5.28122436e-06 4.52632403e-15 2.38546902e-14 9.21476064e-14] Minimization converged after 67 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-3.90766226e-04 -2.23604151e-05 -4.28806820e-04] [ 3.90766230e-04 2.23604210e-05 -4.28806824e-04] [ 3.90766222e-04 -2.23604125e-05 4.28806816e-04] [-3.90766231e-04 2.23604207e-05 4.28806827e-04] [ 7.06645525e-04 -5.65736130e-04 -5.10387702e-04] [-7.06645544e-04 5.65736100e-04 -5.10387682e-04] [-7.06645573e-04 -5.65736062e-04 5.10387628e-04] [ 7.06645497e-04 5.65736186e-04 5.10387734e-04] [ 1.24221447e-03 2.56436075e-04 -1.94809081e-03] [ 1.24221448e-03 -2.56436083e-04 1.94809078e-03] [-1.24221450e-03 -2.56436080e-04 -1.94809081e-03] [-1.24221447e-03 2.56436071e-04 1.94809083e-03] [ 8.95694416e-04 -8.32572280e-04 1.79829405e-03] [-8.95694428e-04 -8.32572281e-04 -1.79829405e-03] [ 8.95694466e-04 8.32572241e-04 -1.79829408e-03] [-8.95694383e-04 8.32572322e-04 1.79829403e-03] [ 2.10774064e-03 -1.55533984e-03 2.20078953e-04] [-2.10774061e-03 1.55533982e-03 2.20078862e-04] [-2.10774064e-03 -1.55533987e-03 -2.20078865e-04] [ 2.10774063e-03 1.55533986e-03 -2.20078913e-04] [ 1.01896915e-03 -1.19154569e-03 2.68045366e-04] [-1.01896913e-03 1.19154559e-03 2.68045426e-04] [-1.01896917e-03 -1.19154560e-03 -2.68045358e-04] [ 1.01896918e-03 1.19154564e-03 -2.68045381e-04]] Final stress: [-8.69039818e-06 8.28695527e-07 -6.95738499e-06 -6.03714173e-14 8.23471091e-15 -5.19613859e-14] Minimization converged after 61 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.33626056e-04 -1.67492605e-04 -3.85906016e-05] [ 1.33626059e-04 1.67492609e-04 -3.85906060e-05] [ 1.33626066e-04 -1.67492615e-04 3.85906106e-05] [-1.33626062e-04 1.67492612e-04 3.85906072e-05] [ 5.85102914e-04 1.90083009e-04 -2.34471366e-04] [-5.85102901e-04 -1.90082991e-04 -2.34471384e-04] [-5.85102922e-04 1.90083021e-04 2.34471364e-04] [ 5.85102921e-04 -1.90083021e-04 2.34471365e-04] [-1.14392761e-04 1.58687023e-04 -1.54690231e-04] [-1.14392754e-04 -1.58687034e-04 1.54690214e-04] [ 1.14392738e-04 -1.58687042e-04 -1.54690199e-04] [ 1.14392765e-04 1.58687030e-04 1.54690221e-04] [-6.27789722e-04 3.48654859e-04 1.25822000e-04] [ 6.27789726e-04 3.48654848e-04 -1.25821996e-04] [-6.27789730e-04 -3.48654851e-04 -1.25821996e-04] [ 6.27789727e-04 -3.48654858e-04 1.25822000e-04] [ 9.89325318e-06 5.86009664e-04 -4.52567835e-04] [-9.89323378e-06 -5.86009657e-04 -4.52567819e-04] [-9.89324065e-06 5.86009678e-04 4.52567824e-04] [ 9.89322285e-06 -5.86009684e-04 4.52567836e-04] [ 1.76820063e-04 3.04271587e-04 -2.57613886e-04] [-1.76820072e-04 -3.04271586e-04 -2.57613878e-04] [-1.76820084e-04 3.04271575e-04 2.57613890e-04] [ 1.76820083e-04 -3.04271571e-04 2.57613866e-04]] Final stress: [-5.79405858e-06 -6.28301723e-06 -1.97821402e-05 2.38740765e-14 -1.39886068e-14 3.89392762e-14] Minimization converged after 24 steps. Minimization converged after 26 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00217052 0.00357044 0.00313617] [-0.00217052 -0.00357044 0.00313617] [-0.00217052 0.00357044 -0.00313617] [ 0.00217052 -0.00357044 -0.00313617] [-0.00022802 0.00768142 -0.00583469] [ 0.00022802 -0.00768142 -0.00583469] [ 0.00022801 0.00768142 0.00583469] [-0.00022802 -0.00768142 0.00583469] [ 0.00476064 -0.00484128 -0.00222226] [ 0.00476064 0.00484128 0.00222226] [-0.00476064 0.00484128 -0.00222226] [-0.00476064 -0.00484128 0.00222226] [ 0.00384089 0.00261008 -0.00141195] [-0.00384089 0.00261008 0.00141195] [ 0.00384089 -0.00261008 0.00141195] [-0.00384089 -0.00261008 -0.00141195] [ 0.00501344 -0.0010153 -0.00865324] [-0.00501344 0.0010153 -0.00865324] [-0.00501344 -0.0010153 0.00865324] [ 0.00501344 0.0010153 0.00865324] [ 0.00389109 -0.00178964 -0.00626791] [-0.00389109 0.00178964 -0.00626791] [-0.00389109 -0.00178964 0.00626791] [ 0.00389109 0.00178964 0.00626791]] Final stress: [-8.18135569e-05 8.13230291e-07 -5.56880977e-06 -1.23728671e-14 -9.15764155e-14 5.65454999e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00060346 -0.00114643 -0.0009785 ] [ 0.00060346 0.00114643 -0.0009785 ] [ 0.00060346 -0.00114643 0.0009785 ] [-0.00060346 0.00114643 0.0009785 ] [ 0.00017507 -0.00309229 0.0020824 ] [-0.00017507 0.00309229 0.0020824 ] [-0.00017507 -0.00309229 -0.0020824 ] [ 0.00017507 0.00309229 -0.0020824 ] [-0.00142516 0.00219419 0.00108924] [-0.00142516 -0.00219419 -0.00108924] [ 0.00142516 -0.00219419 0.00108924] [ 0.00142516 0.00219419 -0.00108924] [-0.00102402 -0.00060459 0.00085979] [ 0.00102402 -0.00060459 -0.00085979] [-0.00102402 0.00060459 -0.00085979] [ 0.00102402 0.00060459 0.00085979] [-0.00201344 0.00026271 0.00298586] [ 0.00201344 -0.00026271 0.00298586] [ 0.00201344 0.00026271 -0.00298586] [-0.00201344 -0.00026271 -0.00298586] [-0.00107825 0.00104358 0.00199139] [ 0.00107825 -0.00104358 0.00199139] [ 0.00107825 0.00104358 -0.00199139] [-0.00107825 -0.00104358 -0.00199139]] Final stress: [ 2.87191387e-05 3.31971084e-06 1.56826559e-06 8.01777974e-14 3.75938216e-13 -5.86262405e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00347122 0.0024108 0.00395745] [-0.00347122 -0.0024108 0.00395745] [-0.00347122 0.0024108 -0.00395745] [ 0.00347122 -0.0024108 -0.00395745] [-0.00156341 0.004244 0.00290722] [ 0.00156341 -0.004244 0.00290722] [ 0.00156341 0.004244 -0.00290722] [-0.00156341 -0.004244 -0.00290722] [-0.00643823 -0.00024486 0.00848365] [-0.00643823 0.00024486 -0.00848365] [ 0.00643823 0.00024486 0.00848365] [ 0.00643823 -0.00024486 -0.00848365] [-0.00246349 0.00524885 -0.00533893] [ 0.00246349 0.00524885 0.00533893] [-0.00246349 -0.00524885 0.00533893] [ 0.00246349 -0.00524885 -0.00533893] [-0.00957835 0.00551253 -0.00113979] [ 0.00957835 -0.00551253 -0.00113979] [ 0.00957835 0.00551253 0.00113979] [-0.00957835 -0.00551253 0.00113979] [-0.00691093 0.00430327 -0.00196909] [ 0.00691093 -0.00430327 -0.00196909] [ 0.00691093 0.00430327 0.00196909] [-0.00691093 -0.00430327 0.00196909]] Final stress: [-5.98866806e-06 -9.17524544e-05 1.16330794e-06 -1.58121911e-13 2.23370519e-13 -6.14263631e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00095586 -0.00059138 -0.00112149] [ 0.00095586 0.00059138 -0.00112149] [ 0.00095586 -0.00059138 0.00112149] [-0.00095586 0.00059138 0.00112149] [ 0.00081686 -0.00103933 -0.00056836] [-0.00081686 0.00103933 -0.00056836] [-0.00081686 -0.00103933 0.00056836] [ 0.00081686 0.00103933 0.00056836] [ 0.00213765 0.00016954 -0.0031238 ] [ 0.00213765 -0.00016954 0.0031238 ] [-0.00213765 -0.00016954 -0.0031238 ] [-0.00213765 0.00016954 0.0031238 ] [ 0.00107548 -0.00145909 0.00217299] [-0.00107548 -0.00145909 -0.00217299] [ 0.00107548 0.00145909 -0.00217299] [-0.00107548 0.00145909 0.00217299] [ 0.00291887 -0.00201454 0.00023239] [-0.00291887 0.00201454 0.00023239] [-0.00291887 -0.00201454 -0.00023239] [ 0.00291887 0.00201454 -0.00023239] [ 0.00206114 -0.00102965 0.00104079] [-0.00206114 0.00102965 0.00104079] [-0.00206114 -0.00102965 -0.00104079] [ 0.00206114 0.00102965 -0.00104079]] Final stress: [2.92423360e-06 2.90642511e-05 4.67965040e-06 7.78182142e-14 2.24359633e-13 1.28196775e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00390051 0.00342181 0.00237576] [-0.00390051 -0.00342181 0.00237576] [-0.00390051 0.00342181 -0.00237576] [ 0.00390051 -0.00342181 -0.00237576] [-0.00526557 -0.002429 0.0051763 ] [ 0.00526557 0.002429 0.0051763 ] [ 0.00526557 -0.002429 -0.0051763 ] [-0.00526557 0.002429 -0.0051763 ] [ 0.00286352 -0.00154065 0.00418437] [ 0.00286352 0.00154065 -0.00418437] [-0.00286352 0.00154065 0.00418437] [-0.00286352 -0.00154065 -0.00418437] [ 0.00836424 -0.00634791 -0.00024248] [-0.00836424 -0.00634791 0.00024248] [ 0.00836424 0.00634791 0.00024248] [-0.00836424 0.00634791 -0.00024248] [-0.00112113 -0.0094392 0.00543748] [ 0.00112113 0.0094392 0.00543748] [ 0.00112113 -0.0094392 -0.00543748] [-0.00112113 0.0094392 -0.00543748] [-0.00194217 -0.00681621 0.00424181] [ 0.00194217 0.00681621 0.00424181] [ 0.00194217 -0.00681621 -0.00424181] [-0.00194217 0.00681621 -0.00424182]] Final stress: [ 1.12066970e-06 -5.91558020e-06 -9.02721431e-05 1.02432345e-13 2.49957799e-13 -1.03502003e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-0.00113413 -0.00096262 -0.00060291] [ 0.00113413 0.00096262 -0.00060291] [ 0.00113413 -0.00096262 0.00060291] [-0.00113413 0.00096262 0.00060291] [ 0.00217923 0.0010958 -0.00143232] [-0.00217923 -0.0010958 -0.00143232] [-0.00217923 0.0010958 0.00143232] [ 0.00217923 -0.0010958 0.00143232] [-0.00058507 0.00082634 -0.0010493 ] [-0.00058507 -0.00082634 0.0010493 ] [ 0.00058507 -0.00082634 -0.0010493 ] [ 0.00058507 0.00082634 0.0010493 ] [-0.00311793 0.00212065 0.00016207] [ 0.00311793 0.00212065 -0.00016207] [-0.00311793 -0.00212065 -0.00016207] [ 0.00311793 -0.00212065 0.00016207] [ 0.00025801 0.00294162 -0.00199656] [-0.00025801 -0.00294162 -0.00199656] [-0.00025801 0.00294162 0.00199656] [ 0.00025801 -0.00294162 0.00199656] [ 0.00103227 0.00204853 -0.00105446] [-0.00103227 -0.00204853 -0.00105446] [-0.00103227 0.00204853 0.00105446] [ 0.00103227 -0.00204853 0.00105446]] Final stress: [ 4.13915648e-06 2.38129617e-06 2.91732193e-05 2.04390201e-13 -1.19573488e-13 7.05578244e-14] Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 5.47159335e-05 1.67160274e-04 1.57022082e-04] [-5.47159321e-05 -1.67160273e-04 1.57022081e-04] [-5.47159222e-05 1.67160262e-04 -1.57022073e-04] [ 5.47159219e-05 -1.67160262e-04 -1.57022072e-04] [-7.70638598e-05 6.71761600e-04 -3.84340869e-04] [ 7.70638646e-05 -6.71761593e-04 -3.84340878e-04] [ 7.70638445e-05 6.71761627e-04 3.84340854e-04] [-7.70638365e-05 -6.71761639e-04 3.84340855e-04] [ 2.56630821e-04 -5.07652951e-04 -1.83957860e-04] [ 2.56630819e-04 5.07652942e-04 1.83957848e-04] [-2.56630817e-04 5.07652949e-04 -1.83957857e-04] [-2.56630799e-04 -5.07652958e-04 1.83957874e-04] [ 3.18200051e-04 1.52846724e-04 -7.71821282e-05] [-3.18200032e-04 1.52846704e-04 7.71821414e-05] [ 3.18200047e-04 -1.52846715e-04 7.71821301e-05] [-3.18200048e-04 -1.52846728e-04 -7.71821266e-05] [ 2.03988368e-04 -1.06378667e-04 -5.89597887e-04] [-2.03988380e-04 1.06378681e-04 -5.89597892e-04] [-2.03988367e-04 -1.06378635e-04 5.89597898e-04] [ 2.03988351e-04 1.06378640e-04 5.89597894e-04] [ 2.57901623e-04 -1.60770582e-04 -4.01254594e-04] [-2.57901636e-04 1.60770601e-04 -4.01254572e-04] [-2.57901655e-04 -1.60770614e-04 4.01254583e-04] [ 2.57901642e-04 1.60770615e-04 4.01254570e-04]] Final stress: [ 4.19240251e-06 3.59712908e-06 3.42864595e-06 5.49726486e-16 -7.95736542e-16 6.31970307e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.34121566e-04 -1.26525859e-05 -6.83060423e-05] [-1.34121557e-04 1.26525932e-05 -6.83060512e-05] [-1.34121567e-04 -1.26525861e-05 6.83060414e-05] [ 1.34121558e-04 1.26525937e-05 6.83060523e-05] [ 7.14252014e-05 -6.12229224e-04 4.72762294e-04] [-7.14252018e-05 6.12229223e-04 4.72762280e-04] [-7.14252149e-05 -6.12229200e-04 -4.72762312e-04] [ 7.14251922e-05 6.12229238e-04 -4.72762273e-04] [-4.47890606e-04 3.02871127e-04 -1.86707702e-04] [-4.47890589e-04 -3.02871144e-04 1.86707669e-04] [ 4.47890602e-04 -3.02871130e-04 -1.86707691e-04] [ 4.47890593e-04 3.02871136e-04 1.86707688e-04] [-4.37452293e-05 3.24583809e-05 1.62424409e-04] [ 4.37452286e-05 3.24583802e-05 -1.62424410e-04] [-4.37452048e-05 -3.24583946e-05 -1.62424428e-04] [ 4.37452003e-05 -3.24584007e-05 1.62424430e-04] [-5.34860943e-04 5.84947204e-06 8.61304909e-04] [ 5.34860941e-04 -5.84948138e-06 8.61304883e-04] [ 5.34860942e-04 5.84949585e-06 -8.61304885e-04] [-5.34860926e-04 -5.84947830e-06 -8.61304881e-04] [-8.55361948e-05 3.85843962e-04 1.96296794e-04] [ 8.55362199e-05 -3.85843979e-04 1.96296838e-04] [ 8.55362070e-05 3.85843975e-04 -1.96296788e-04] [-8.55362172e-05 -3.85843971e-04 -1.96296823e-04]] Final stress: [-8.43544947e-06 -2.25338760e-06 -2.41924147e-06 -3.16812897e-14 4.13899557e-14 -1.45398193e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.58056728e-04 5.36066351e-05 1.66614165e-04] [-1.58056723e-04 -5.36066302e-05 1.66614159e-04] [-1.58056714e-04 5.36066207e-05 -1.66614152e-04] [ 1.58056718e-04 -5.36066264e-05 -1.66614157e-04] [-7.82845180e-05 3.17282659e-04 1.47593707e-04] [ 7.82845251e-05 -3.17282648e-04 1.47593697e-04] [ 7.82845002e-05 3.17282679e-04 -1.47593723e-04] [-7.82845042e-05 -3.17282672e-04 -1.47593720e-04] [-3.84673165e-04 -7.64567274e-05 6.72198533e-04] [-3.84673202e-04 7.64567420e-05 -6.72198509e-04] [ 3.84673163e-04 7.64567242e-05 6.72198538e-04] [ 3.84673184e-04 -7.64567259e-05 -6.72198534e-04] [-1.72738923e-04 2.52174186e-04 -5.03698417e-04] [ 1.72738894e-04 2.52174195e-04 5.03698402e-04] [-1.72738888e-04 -2.52174201e-04 5.03698399e-04] [ 1.72738928e-04 -2.52174175e-04 -5.03698420e-04] [-5.98934932e-04 2.04161997e-04 -1.09037220e-04] [ 5.98934932e-04 -2.04161998e-04 -1.09037218e-04] [ 5.98934945e-04 2.04161987e-04 1.09037219e-04] [-5.98934939e-04 -2.04162005e-04 1.09037240e-04] [-3.94089301e-04 2.55198383e-04 -1.66601284e-04] [ 3.94089303e-04 -2.55198402e-04 -1.66601298e-04] [ 3.94089244e-04 2.55198387e-04 1.66601299e-04] [-3.94089254e-04 -2.55198384e-04 1.66601294e-04]] Final stress: [3.31736485e-06 4.10729252e-06 3.48570924e-06 2.50717825e-14 2.61677641e-14 2.04656903e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.53149106e-04 -7.59009003e-05 -1.44561072e-04] [ 1.53149106e-04 7.59008964e-05 -1.44561070e-04] [ 1.53149098e-04 -7.59008901e-05 1.44561064e-04] [-1.53149107e-04 7.59008993e-05 1.44561074e-04] [ 1.26016403e-04 -1.67562728e-04 -8.19953505e-05] [-1.26016396e-04 1.67562743e-04 -8.19953614e-05] [-1.26016382e-04 -1.67562765e-04 8.19953666e-05] [ 1.26016393e-04 1.67562743e-04 8.19953681e-05] [ 4.10813061e-04 7.04315769e-05 -5.62541955e-04] [ 4.10813074e-04 -7.04315870e-05 5.62541939e-04] [-4.10813051e-04 -7.04315707e-05 -5.62541963e-04] [-4.10813055e-04 7.04315613e-05 5.62541977e-04] [ 1.55126138e-04 -2.53674281e-04 4.30848161e-04] [-1.55126153e-04 -2.53674253e-04 -4.30848170e-04] [ 1.55126156e-04 2.53674257e-04 -4.30848174e-04] [-1.55126167e-04 2.53674244e-04 4.30848179e-04] [ 4.53273976e-04 -5.38207699e-04 -9.70993383e-05] [-4.53273990e-04 5.38207706e-04 -9.70993459e-05] [-4.53273993e-04 -5.38207706e-04 9.70993416e-05] [ 4.53273994e-04 5.38207732e-04 9.70993328e-05] [ 3.66633544e-04 -2.11278126e-04 1.88778358e-04] [-3.66633539e-04 2.11278172e-04 1.88778395e-04] [-3.66633532e-04 -2.11278149e-04 -1.88778374e-04] [ 3.66633525e-04 2.11278124e-04 -1.88778382e-04]] Final stress: [ 1.84253483e-06 9.06516651e-07 1.99773753e-06 -3.33601334e-14 3.43891732e-16 -3.74708048e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.58192030e-04 1.49194339e-04 4.51046880e-05] [-1.58192021e-04 -1.49194331e-04 4.51046781e-05] [-1.58192023e-04 1.49194332e-04 -4.51046817e-05] [ 1.58192020e-04 -1.49194330e-04 -4.51046790e-05] [-5.05073929e-04 -1.76625103e-04 2.52657303e-04] [ 5.05073929e-04 1.76625104e-04 2.52657292e-04] [ 5.05073904e-04 -1.76625067e-04 -2.52657321e-04] [-5.05073937e-04 1.76625119e-04 -2.52657275e-04] [ 1.48241699e-04 -7.94886671e-05 3.17729384e-04] [ 1.48241689e-04 7.94886704e-05 -3.17729381e-04] [-1.48241725e-04 7.94886521e-05 3.17729408e-04] [-1.48241691e-04 -7.94886714e-05 -3.17729371e-04] [ 6.72016853e-04 -3.88522681e-04 -7.59159270e-05] [-6.72016847e-04 -3.88522697e-04 7.59159335e-05] [ 6.72016858e-04 3.88522681e-04 7.59159227e-05] [-6.72016866e-04 3.88522680e-04 -7.59159157e-05] [-1.08292341e-04 -6.00082612e-04 2.10677885e-04] [ 1.08292366e-04 6.00082602e-04 2.10677863e-04] [ 1.08292381e-04 -6.00082599e-04 -2.10677890e-04] [-1.08292372e-04 6.00082598e-04 -2.10677883e-04] [-1.58363001e-04 -3.93286293e-04 2.64408196e-04] [ 1.58363024e-04 3.93286257e-04 2.64408233e-04] [ 1.58363000e-04 -3.93286280e-04 -2.64408217e-04] [-1.58362998e-04 3.93286296e-04 -2.64408245e-04]] Final stress: [ 3.50129274e-06 3.33359781e-06 4.07603413e-06 -2.45372053e-14 3.18388192e-14 5.01884475e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.58955125e-04 -1.66273287e-04 -9.06205687e-05] [ 1.58955116e-04 1.66273278e-04 -9.06205585e-05] [ 1.58955114e-04 -1.66273275e-04 9.06205576e-05] [-1.58955115e-04 1.66273279e-04 9.06205601e-05] [ 4.21652583e-04 1.40397195e-04 -2.13052813e-04] [-4.21652579e-04 -1.40397191e-04 -2.13052803e-04] [-4.21652565e-04 1.40397169e-04 2.13052823e-04] [ 4.21652575e-04 -1.40397188e-04 2.13052806e-04] [-8.02281882e-05 1.38770882e-04 -1.74570187e-04] [-8.02281707e-05 -1.38770886e-04 1.74570181e-04] [ 8.02282027e-05 -1.38770868e-04 -1.74570209e-04] [ 8.02281954e-05 1.38770869e-04 1.74570202e-04] [-5.58905893e-04 3.99849658e-04 5.95686619e-05] [ 5.58905902e-04 3.99849665e-04 -5.95686590e-05] [-5.58905914e-04 -3.99849650e-04 -5.95686496e-05] [ 5.58905922e-04 -3.99849650e-04 5.95686435e-05] [-7.26966721e-05 4.97946060e-04 -5.34284139e-04] [ 7.26966705e-05 -4.97946063e-04 -5.34284137e-04] [ 7.26966435e-05 4.97946048e-04 5.34284152e-04] [-7.26966761e-05 -4.97946052e-04 5.34284125e-04] [ 2.02159913e-04 3.37628433e-04 -2.24973016e-04] [-2.02159940e-04 -3.37628407e-04 -2.24973026e-04] [-2.02159909e-04 3.37628418e-04 2.24973014e-04] [ 2.02159909e-04 -3.37628437e-04 2.24973040e-04]] Final stress: [ 2.14475149e-06 1.98808640e-06 1.68083523e-06 -1.53257296e-14 -3.72032851e-14 -2.80112934e-14] Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.71587260e-04 2.86665548e-04 2.58578365e-04] [-1.71587253e-04 -2.86665537e-04 2.58578354e-04] [-1.71587274e-04 2.86665559e-04 -2.58578374e-04] [ 1.71587291e-04 -2.86665573e-04 -2.58578391e-04] [-2.18032111e-05 6.75414025e-04 -4.96845604e-04] [ 2.18032422e-05 -6.75413981e-04 -4.96845642e-04] [ 2.18032367e-05 6.75413995e-04 4.96845633e-04] [-2.18032617e-05 -6.75413953e-04 4.96845649e-04] [ 4.06764828e-04 -4.36172720e-04 -1.90989851e-04] [ 4.06764896e-04 4.36172694e-04 1.90989808e-04] [-4.06764893e-04 4.36172680e-04 -1.90989784e-04] [-4.06764900e-04 -4.36172669e-04 1.90989768e-04] [ 3.06190635e-04 1.96374120e-04 -1.32128571e-04] [-3.06190604e-04 1.96374097e-04 1.32128585e-04] [ 3.06190546e-04 -1.96374068e-04 1.32128614e-04] [-3.06190595e-04 -1.96374086e-04 -1.32128590e-04] [ 4.74353929e-04 -8.26903565e-05 -7.27778192e-04] [-4.74353843e-04 8.26903205e-05 -7.27778161e-04] [-4.74353909e-04 -8.26903636e-05 7.27778157e-04] [ 4.74353870e-04 8.26903151e-05 7.27778208e-04] [ 3.14290523e-04 -1.54894615e-04 -5.42429228e-04] [-3.14290545e-04 1.54894563e-04 -5.42429258e-04] [-3.14290448e-04 -1.54894573e-04 5.42429267e-04] [ 3.14290480e-04 1.54894578e-04 5.42429238e-04]] Final stress: [-1.72052506e-06 9.08122293e-07 7.26603388e-07 5.92442917e-14 -2.34084916e-14 -4.80828151e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-1.28496235e-04 -2.60914270e-04 -2.56356867e-04] [ 1.28496228e-04 2.60914266e-04 -2.56356861e-04] [ 1.28496217e-04 -2.60914248e-04 2.56356851e-04] [-1.28496203e-04 2.60914239e-04 2.56356838e-04] [ 4.85511683e-05 -6.41321764e-04 4.70863216e-04] [-4.85511589e-05 6.41321773e-04 4.70863232e-04] [-4.85511231e-05 -6.41321835e-04 -4.70863188e-04] [ 4.85511283e-05 6.41321826e-04 -4.70863211e-04] [-3.43837560e-04 4.85475553e-04 1.98888860e-04] [-3.43837531e-04 -4.85475554e-04 -1.98888865e-04] [ 3.43837557e-04 -4.85475551e-04 1.98888853e-04] [ 3.43837520e-04 4.85475576e-04 -1.98888903e-04] [-2.38198063e-04 -1.38991038e-04 1.35721360e-04] [ 2.38198034e-04 -1.38991005e-04 -1.35721384e-04] [-2.38198062e-04 1.38991026e-04 -1.35721363e-04] [ 2.38198108e-04 1.38991071e-04 1.35721329e-04] [-4.57813425e-04 8.80167124e-05 6.91594705e-04] [ 4.57813447e-04 -8.80167220e-05 6.91594724e-04] [ 4.57813378e-04 8.80166360e-05 -6.91594703e-04] [-4.57813401e-04 -8.80166664e-05 -6.91594706e-04] [-2.70476849e-04 1.52489443e-04 5.00353440e-04] [ 2.70476822e-04 -1.52489459e-04 5.00353381e-04] [ 2.70476862e-04 1.52489493e-04 -5.00353386e-04] [-2.70476860e-04 -1.52489501e-04 -5.00353351e-04]] Final stress: [ 2.22257657e-06 3.40363228e-08 -1.41555196e-07 2.48423727e-14 -3.80806524e-14 -1.37035425e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 0.00128559 0.00132095 0.00168987] [-0.00128559 -0.00132095 0.00168987] [-0.00128559 0.00132095 -0.00168987] [ 0.00128559 -0.00132095 -0.00168987] [-0.0006838 0.00130097 0.00155005] [ 0.0006838 -0.00130097 0.00155005] [ 0.0006838 0.00130097 -0.00155005] [-0.0006838 -0.00130097 -0.00155005] [-0.00197234 -0.00018777 0.00306707] [-0.00197234 0.00018777 -0.00306707] [ 0.00197234 0.00018777 0.00306707] [ 0.00197234 -0.00018777 -0.00306707] [-0.00212986 0.00231067 -0.00231664] [ 0.00212986 0.00231067 0.00231664] [-0.00212986 -0.00231067 0.00231664] [ 0.00212986 -0.00231067 -0.00231664] [-0.00211613 0.0019884 0.0001775 ] [ 0.00211613 -0.0019884 0.0001775 ] [ 0.00211613 0.0019884 -0.0001775 ] [-0.00211613 -0.0019884 -0.0001775 ] [-0.00293327 0.0012803 -0.00076457] [ 0.00293327 -0.0012803 -0.00076457] [ 0.00293327 0.0012803 0.00076457] [-0.00293327 -0.0012803 0.00076457]] Final stress: [ 1.10802128e-05 -2.62333168e-05 1.19759855e-05 -1.82721784e-13 -2.69984459e-13 3.97055481e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-2.77061482e-04 -2.02696049e-04 -3.12788086e-04] [ 2.77061479e-04 2.02696042e-04 -3.12788081e-04] [ 2.77061448e-04 -2.02696009e-04 3.12788054e-04] [-2.77061455e-04 2.02696018e-04 3.12788064e-04] [ 1.17648343e-04 -2.53540143e-04 -1.82171422e-04] [-1.17648323e-04 2.53540186e-04 -1.82171460e-04] [-1.17648276e-04 -2.53540261e-04 1.82171481e-04] [ 1.17648274e-04 2.53540256e-04 1.82171505e-04] [ 5.15249533e-04 1.04408935e-07 -6.62248382e-04] [ 5.15249560e-04 -1.04405986e-07 6.62248374e-04] [-5.15249525e-04 -1.04393138e-07 -6.62248395e-04] [-5.15249541e-04 1.04380744e-07 6.62248416e-04] [ 2.90417976e-04 -4.21077170e-04 4.44490241e-04] [-2.90418023e-04 -4.21077096e-04 -4.44490274e-04] [ 2.90418015e-04 4.21077120e-04 -4.44490277e-04] [-2.90418034e-04 4.21077117e-04 4.44490281e-04] [ 6.57428957e-04 -4.86940691e-04 7.90213319e-05] [-6.57428959e-04 4.86940675e-04 7.90213016e-05] [-6.57428986e-04 -4.86940760e-04 -7.90213498e-05] [ 6.57428993e-04 4.86940788e-04 -7.90213285e-05] [ 6.35240547e-04 -2.47301771e-04 1.61370151e-04] [-6.35240517e-04 2.47301814e-04 1.61370214e-04] [-6.35240477e-04 -2.47301769e-04 -1.61370171e-04] [ 6.35240474e-04 2.47301712e-04 -1.61370188e-04]] Final stress: [-1.05690722e-06 1.40145331e-06 -8.61750516e-07 -5.33502241e-14 4.18125836e-14 -1.54326207e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 0.0296115 0.03007716 -0.00774228] [-0.0296115 -0.03007715 -0.00774229] [-0.0296115 0.03007715 0.00774229] [ 0.0296115 -0.03007715 0.00774229] [-0.07916978 -0.02502755 0.03666755] [ 0.07916977 0.02502754 0.03666755] [ 0.07916977 -0.02502754 -0.03666755] [-0.07916977 0.02502755 -0.03666755] [ 0.04888328 -0.02537903 0.02463563] [ 0.04888327 0.02537903 -0.02463563] [-0.04888328 0.02537902 0.02463564] [-0.04888328 -0.02537902 -0.02463564] [ 0.07530754 -0.03866887 -0.01853788] [-0.07530754 -0.03866888 0.01853789] [ 0.07530754 0.03866887 0.01853788] [-0.07530754 0.03866888 -0.01853788] [-0.01557209 -0.10095987 0.05109282] [ 0.01557208 0.10095987 0.05109282] [ 0.01557209 -0.10095987 -0.05109282] [-0.01557208 0.10095987 -0.05109282] [-0.00519894 -0.02949611 0.05611751] [ 0.00519895 0.0294961 0.05611751] [ 0.00519894 -0.0294961 -0.05611751] [-0.00519895 0.02949611 -0.05611751]] Final stress: [ 9.17691503e-04 6.65237971e-04 -2.65109026e-04 1.08112519e-11 7.02057530e-12 6.01609653e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-0.00163205 -0.00110571 -0.00181277] [ 0.00163205 0.00110571 -0.00181277] [ 0.00163205 -0.00110571 0.00181277] [-0.00163205 0.00110571 0.00181277] [ 0.00011495 0.00056561 -0.00180746] [-0.00011495 -0.00056561 -0.00180746] [-0.00011495 0.00056561 0.00180746] [ 0.00011495 -0.00056561 0.00180746] [-0.0001533 0.00087432 -0.00099679] [-0.0001533 -0.00087432 0.00099679] [ 0.0001533 -0.00087432 -0.00099679] [ 0.0001533 0.00087432 0.00099679] [-0.00306465 0.00323445 -0.00084809] [ 0.00306464 0.00323445 0.00084809] [-0.00306464 -0.00323445 0.00084809] [ 0.00306464 -0.00323445 -0.00084809] [ 0.00031285 0.00370022 -0.00291586] [-0.00031285 -0.00370022 -0.00291586] [-0.00031285 0.00370022 0.00291586] [ 0.00031285 -0.00370022 0.00291586] [ 0.00166104 0.00257769 -0.00064937] [-0.00166104 -0.00257769 -0.00064937] [-0.00166104 0.00257769 0.00064937] [ 0.00166104 -0.00257769 0.00064937]] Final stress: [ 2.86244815e-05 2.75992604e-05 5.83704707e-05 -2.50563299e-14 1.47913270e-13 7.43950321e-13] Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00205537 0.0032199 0.00274194] [-0.00205537 -0.0032199 0.00274194] [-0.00205536 0.0032199 -0.00274194] [ 0.00205536 -0.0032199 -0.00274194] [ 0.00015614 0.00683461 -0.00530244] [-0.00015614 -0.00683461 -0.00530244] [-0.00015615 0.00683461 0.00530244] [ 0.00015615 -0.00683461 0.00530244] [ 0.0044792 -0.00394121 -0.00213225] [ 0.0044792 0.00394121 0.00213225] [-0.0044792 0.00394121 -0.00213225] [-0.0044792 -0.00394121 0.00213225] [ 0.00321381 0.00223894 -0.0014002 ] [-0.00321381 0.00223894 0.0014002 ] [ 0.00321381 -0.00223894 0.0014002 ] [-0.0032138 -0.00223894 -0.0014002 ] [ 0.0050241 -0.00108637 -0.00760838] [-0.0050241 0.00108637 -0.00760838] [-0.0050241 -0.00108637 0.00760838] [ 0.0050241 0.00108637 0.00760838] [ 0.00326764 -0.00127754 -0.00599204] [-0.00326764 0.00127754 -0.00599205] [-0.00326764 -0.00127754 0.00599204] [ 0.00326764 0.00127754 0.00599204]] Final stress: [-8.20622465e-05 -5.37575104e-06 -7.22459021e-06 -6.27625710e-13 -1.00681573e-12 4.15364431e-12] Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 0.00270641 0.00197827 0.00317351] [-0.00270641 -0.00197827 0.00317351] [-0.00270641 0.00197827 -0.00317351] [ 0.00270641 -0.00197827 -0.00317351] [-0.00132415 0.00322054 0.00229981] [ 0.00132415 -0.00322054 0.00229981] [ 0.00132415 0.00322054 -0.00229981] [-0.00132415 -0.00322054 -0.00229982] [-0.00527391 0.00024232 0.00682544] [-0.00527391 -0.00024232 -0.00682544] [ 0.00527391 -0.00024232 0.00682544] [ 0.00527391 0.00024232 -0.00682544] [-0.00218185 0.00447973 -0.00392095] [ 0.00218185 0.00447973 0.00392095] [-0.00218185 -0.00447973 0.00392095] [ 0.00218185 -0.00447973 -0.00392095] [-0.00755286 0.00521593 -0.00098023] [ 0.00755286 -0.00521593 -0.00098023] [ 0.00755286 0.00521593 0.00098023] [-0.00755286 -0.00521593 0.00098023] [-0.00614846 0.00321503 -0.00137702] [ 0.00614846 -0.00321503 -0.00137702] [ 0.00614846 0.00321503 0.00137702] [-0.00614846 -0.00321503 0.00137702]] Final stress: [-5.38788421e-06 -8.16773285e-05 -3.54168174e-06 8.54694826e-13 -4.56497169e-13 -4.93088836e-13] Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 3.14552440e-03 2.68170577e-03 1.94702079e-03] [-3.14552425e-03 -2.68170583e-03 1.94702072e-03] [-3.14552486e-03 2.68170628e-03 -1.94702125e-03] [ 3.14552409e-03 -2.68170558e-03 -1.94702047e-03] [-3.97000753e-03 -1.91448777e-03 4.53758522e-03] [ 3.97000704e-03 1.91448722e-03 4.53758544e-03] [ 3.97000737e-03 -1.91448762e-03 -4.53758556e-03] [-3.97000759e-03 1.91448777e-03 -4.53758458e-03] [ 2.09118799e-03 -1.42436805e-03 3.25496382e-03] [ 2.09118773e-03 1.42436807e-03 -3.25496386e-03] [-2.09118734e-03 1.42436853e-03 3.25496301e-03] [-2.09118826e-03 -1.42436829e-03 -3.25496327e-03] [ 6.96749335e-03 -5.38755266e-03 4.83510418e-05] [-6.96749383e-03 -5.38755224e-03 -4.83512782e-05] [ 6.96749489e-03 5.38755165e-03 -4.83519895e-05] [-6.96749560e-03 5.38755114e-03 4.83523509e-05] [-1.39459220e-03 -7.88907690e-03 4.54525133e-03] [ 1.39459108e-03 7.88907717e-03 4.54524996e-03] [ 1.39459238e-03 -7.88907662e-03 -4.54525069e-03] [-1.39459045e-03 7.88907763e-03 -4.54525101e-03] [-1.20698233e-03 -5.78835676e-03 3.25583411e-03] [ 1.20698408e-03 5.78835736e-03 3.25583588e-03] [ 1.20698356e-03 -5.78835716e-03 -3.25583472e-03] [-1.20698373e-03 5.78835689e-03 -3.25583501e-03]] Final stress: [-3.32702276e-06 -5.21087564e-06 -7.53912088e-05 -1.70929585e-12 2.43487634e-12 1.35542530e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-3.30389938e-04 -2.97603598e-04 -1.64038471e-04] [ 3.30389934e-04 2.97603585e-04 -1.64038459e-04] [ 3.30389887e-04 -2.97603534e-04 1.64038414e-04] [-3.30389938e-04 2.97603592e-04 1.64038480e-04] [ 6.42698404e-04 2.93178378e-04 -4.18224112e-04] [-6.42698390e-04 -2.93178333e-04 -4.18224123e-04] [-6.42698370e-04 2.93178311e-04 4.18224114e-04] [ 6.42698301e-04 -2.93178209e-04 4.18224258e-04] [-1.74678877e-04 2.02994918e-04 -3.19456790e-04] [-1.74678875e-04 -2.02994874e-04 3.19456826e-04] [ 1.74678947e-04 -2.02994827e-04 -3.19456914e-04] [ 1.74678969e-04 2.02994769e-04 3.19457022e-04] [-8.76596901e-04 6.23101570e-04 6.92775445e-05] [ 8.76596897e-04 6.23101651e-04 -6.92775392e-05] [-8.76596852e-04 -6.23101616e-04 -6.92775838e-05] [ 8.76596846e-04 -6.23101628e-04 6.92775801e-05] [ 6.72364189e-05 8.60472980e-04 -5.52778554e-04] [-6.72364635e-05 -8.60473079e-04 -5.52778747e-04] [-6.72364662e-05 8.60472937e-04 5.52778631e-04] [ 6.72364374e-05 -8.60472897e-04 5.52778525e-04] [ 2.75078590e-04 5.94882237e-04 -3.35422287e-04] [-2.75078530e-04 -5.94882193e-04 -3.35422084e-04] [-2.75078516e-04 5.94882168e-04 3.35422133e-04] [ 2.75078487e-04 -5.94882308e-04 3.35422136e-04]] Final stress: [ 1.59185293e-06 1.45793112e-06 9.23068648e-06 -2.68773759e-13 1.27226193e-13 -7.85690552e-14] Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Summary of completed elastic constants calculation: Method: stress-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0.53829 0.2016 0.2016 0. -0. -0. ] [ 0.2016 0.53829 0.2016 -0. -0. -0. ] [ 0.2016 0.2016 0.53829 0. 0. 0. ] [ 0. -0. 0. 0.1656 0. -0. ] [-0. -0. 0. 0. 0.16563 -0. ] [-0. -0. 0. -0. -0. 0.16552]] 95%% Error estimate [ASE units]: [[0.00837 0.00191 0.00191 0. 0. 0. ] [0.00191 0.00837 0.00191 0. 0. 0. ] [0.00191 0.00191 0.00837 0. 0. 0. ] [0. 0. 0. 0.00157 0. 0. ] [0. 0. 0. 0. 0.00385 0. ] [0. 0. 0. 0. 0. 0.00187]] Maximum deviation from material symmetry [ASE units]: 0.000076 R E S U L T S Elastic constants [GPa]: [[86.24308 32.29987 32.29987 0. -0. -0. ] [32.29987 86.24308 32.29987 -0. -0. -0. ] [32.29987 32.29987 86.24308 0. 0. 0. ] [ 0. -0. 0. 26.53186 0. -0. ] [-0. -0. 0. 0. 26.53666 -0. ] [-0. -0. 0. -0. -0. 26.51964]] 95 %% Error estimate [GPa]: [[1.34094 0.30597 0.30597 0. 0. 0. ] [0.30597 1.34093 0.30597 0. 0. 0. ] [0.30597 0.30597 1.34094 0. 0. 0. ] [0. 0. 0. 0.25226 0. 0. ] [0. 0. 0. 0. 0.61638 0. ] [0. 0. 0. 0. 0. 0.29932]] Maximum deviation from material symmetry [GPa] = 0.01222 Bulk modulus [GPa] = 50.28094 Unique elastic constants for space group 198 [GPa] ['c11', 'c12', 'c44'] [86.24307762055473, 32.299874977042734, 26.531862738522175] Nearest matrix of isotropic elastic constants: Distance to isotropic state [-] = 0.01812 Isotropic bulk modulus [GPa] = 50.28094 Isotropic shear modulus [GPa] = 26.70540